Final Scientific Program 2023

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Quick Reference Saturday
 
Quick Reference Sunday
 
Quick Reference Monday
 
Quick Reference Tuesday

ACA2023 will provide many opportunities for junior and senior scientists from across the globe to engage in extensive discussions and informal interactions, fostering a dynamic interchange of ideas.  Each day of the conference features a plenary lecture and parallel sessions and symposia, giving participants access to a range of topics. Each session will include several presentations relating to the session topic with approximately 40% of the topics coming from submitted abstracts. A poster competition introduces an alternative forum for interaction with the wider research community and the social program will include a welcome reception, providing an opportunity for attendees to make and renew acquaintances in a relaxed setting.

The ACA makes every effort to ensure that the program schedule, events and prices remain as published. However, since unforeseen changes may occur, we reserve the right to make changes. This page and other pages in this section of the website will be updated for the ACA2023 Annual Conference as more information is available. Please make sure to check back periodically and follow us on social media for updates!

This year abstracts will be hosted by the Oxford Abstract system and can be found in the link below.  Oxford contains all of the abstracts, an attendee directory and the poster gallery.  We encourage everyone, attendees, presenters, exhibitors to create an Oxford Abstract system profile in order to access the abstracts and schedule.  

 

Links to Abstracts & Poster Gallery & Exhibitors 

A majority of meeting related content can be found on this webpage however the ACA utilized Oxford Abstracts this year and, in order to access the poster gallery and/or read the abstracts, you will have to access that site.  Information on the abstract platform can be found HERE.  We encourage all attendees to create a profile and utilize the site to view information on the sessions.  

OA Program
Poster Gallery
Conference Platform Information
Exhibitors

  

 

 

Full Program

Friday
Saturday
Sunday
Monday
Tuesday

 

 

 

Friday, July 7, 2023 [Workshop Day] 

This workshop is at capacity and is no longer accepting registrations.  
Date: Friday, July 7
Start: 9:00 AM
Room: Laurel ABCD
 
Date: Friday, July 7
Start: 8:30 AM
Room: Kent AB
 
Date: Friday, July 7
Start: 8:00 AM
Room: Essex AB
     
Date: Friday, July 7
Start: 8:50 AM
Room: Falkland
 
Date: Friday, July 7
Start: 10:00 AM
Room: Essex C
     

First Time Attendee Meet Up
Date: Friday, July 7
Start: 5:30 PM
End: 6:30 PM
Room: Galena
 
Join select members of the YSIG leadership for this session, which aims to introduce first time attendees to ACA2023, provide important information, and create a vibrant sense of community right from the start.  At ACA we believe in fostering an inclusive and engaging environment for all our attendees. We understand that attending a professional conference can be both exciting and overwhelming. This event is designed to help first time attendees navigate their way through the exciting opportunities and events at ACA2023.  Also, did you sign up for a Meeting Mentor?  Please meet your mentor here.  
 

Welcome & Keynote
Date: Friday, July 7
Start: 6:30 PM
End: 7:30 PM
Room: Waterview ABCD
 
The Welcome and Keynote Address will mark the beginning of this educational and inspiring program, where the ACA Meeting Committee, President, Council Officers and our distinguished speaker, Dr. Venki Ramakrishnan will host this event to welcome everyone to ACA2023.  Read more about Dr. Ramakrishnan....
 

Opening Reception 
Date: Friday, July 7
Start: 7:30 PM
End: 10:30 PM
Room: Exhibit Hall

Hosted with the support of:

We cordially invite you to join us at the opening reception of ACA2023, where you can connect and network with professionals from various fields. This event provides an excellent opportunity to establish valuable connections, exchange ideas, and forge new collaborations in a relaxed and welcoming atmosphere.

 

Saturday, July 8, 2023 [Day #1] 

Session Chair(s): Jim Ciston, Tamir Gonen
Date: Saturday, July 8
Start: 8:30 AM
End: 11:30 AM 
Room: Essex A-C
 
Structural determination in biology and materials science encompasses all resolutions, from atoms to entire organelles and cells. Knowledge of the three dimensional structure of biological materials, metals, materials and cells helps guide rational drug design and development, understanding of novel electronic materials, and understanding of the precise local structure of layered, disordered or amorphous materials. In this year’s Transactions symposium of the American Crystallographic Association we put together a fantastic lineup of top scientists working on all resolution scales and a multitude of technologies that are related.
     
 
1.1.1 Alternative Methods to Predict and Solve Crystal Structures I
Session Chair(s): Luca Iuzzolino & Wenqian Xu
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Industrial, Materials, Powder, Service
Date: Saturday, July 8
Start: 8:30 AM
End: 11:30 AM 
Room: Laurel CD
 
This session aims to showcase work involving alternative methods to traditional single crystal X-ray diffraction for predicting and solving crystal structures of small molecules. Examples include, but are not limited to, three-dimensional electron diffraction, small angle scattering, crystal structure prediction (CSP) methods, solid state NMR techniques, and structure solution from powder diffraction and total scattering data.
 
1.1.2 Data Analysis Software
Session Chair(s): Herbert Bernstein & Marian Szebenyi
Sponsoring SIG(s): Best Practices
CoSponsoring SIG(s): Light Sources
Date: Saturday, July 8
Start: 8:30 AM
End: 11:30 AM 
Room: Kent A-C
 
In this symposium we will hear from experts and pioneers in the field of electron cryomicroscopy (cryoEM). Both applications and software for cryoEM will be highlighted as new technologies are developed and described by the experts. We will explore the uses of two other cryoEM methods, namely electron cryotomography (cryoET) of synapses and neuronal networks and microcrystal electron diffraction (MicroED) for drug discovery and the determination of novel structures. Finally, we will hear about applications of scanning electron microscopy and investigations of inorganic layered, disordered or amorphous materials by diffraction methods. We will also hear about the latest and greatest from experts involved in the development of data reduction software for X-ray crystallography and MicroED.
1.1.3 Opening the Black Box of Neutrons
Session Chair(s): Jue Liu & Christina Hoffman
Sponsoring SIG(s): Neutron/Materials/Powder
Date: Saturday, July 8
Start: 8:30 AM
End: 11:30 AM 
Room: Waterview CD
 
Neutron scattering user facilities are a unique resource to provide broad access to the scientific community to study materials and compounds. However, many myths and “rules of thumbs” for neutron experiments around. This session aims to give background information for the novice and the experienced user to plan experiments, manage resources and expectations for data reduction and analysis. All steps of the process are highly dependent on the technique and the knowledge of an instrument responsible scientist.
 
[Cancelled] 1.1.4: Multi-modal experiments/ancillary capabilities
 
1.1.4 General Interest I
Session Chair(s): Tim Stachowski & Charles Bou-Nader
Date: Saturday, July 8
Start: 8:30 AM
End: 11:30 AM 
Room: Laurel AB
 
General Interest sessions are the forum for topics of broad interest to the structural science or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.
 
1.1.5 Crystal Growth & Optimization
Session Chair(s): Gabby Budziszewski & Xu Liu
Sponsoring SIG(s): Biological Macromolecules, Small Molecule
CoSponsoring SIG(s): Best Practices
Date: Saturday, July 8
Start: 8:30 AM
End: 11:30 AM 
Room: Waterview AB
 
For most macromolecules and small molecules, the art of crystal growth is still largely determined experimentally and typically involves iterative optimization steps to produce appropriate diffraction-quality crystals. This session welcomes abstract submissions that include insights into crystal growth optimization, crystal growth prediction, co-crystallization and soaking, and strategies to influence crystal morphologies.
 
YSIG Lunch w/ Dr. Ramakrishnan [Registration Required]
Date: Saturday, July 8
Start: 11:30 AM
End: 1:00 PM 
 
Join us for a buffet lunch and following the lunch, Dr. Venki Ramakrishnan will be available to personally sign copies of "Gene Machine." This is an exceptional chance to interact with the author and gain unique insights into his work and incredible accomplishments.  We invite YSIG members to join us for free and for any other level of membership, the cost for the lunch is $100 UDS.  Registration is required by anyone wanting to attend (registration will close on June 23) and we encourage attendees to bring copies of "Gene Machine" as we will not have any onsite for purchase.  This lunch is graciously sponsored in part by the American Institute of Physics.  
 
TMT 3 Minute Thesis Competition
Date: Saturday, July 8
Start: 1:00 PM 
End: 2:00 PM
Room: Essex A-C
 
Description: In this session, students and postdocs present their research in short, 3-minute presentations. Presenters will prepare a single slide with no animations and discuss their work in a relaxed setting while providing young scientists an opportunity to summarize their results for ACA members across all disciplines. Presenters are strongly encouraged to make their presentation approachable for all scientists outside of their field. This session invites submissions from all structural scientists.
 
 
Session Chair(s): Jim Ciston & Tamir Gonen
Date: Saturday, July 8
Start: 2:00 PM
End: 5:00 PM
Room: Essex A-C
 
Structural determination in biology and materials science encompasses all resolutions, from atoms to entire organelles and cells. Knowledge of the three dimensional structure of biological materials, metals, materials and cells helps guide rational drug design and development, understanding of novel electronic materials, and understanding of the precise local structure of layered, disordered or amorphous materials. In this year’s Transactions symposium of the American Crystallographic Association we put together a fantastic lineup of top scientists working on all resolution scales and a multitude of technologies that are related.
 
1.2.1 Exploring structure through complex modeling of multimodal experiments
Session Chair(s): Wenqian Xu, Ben Frandsen
Sponsoring SIG(s): Neutron/Materials/Powder
Date: Saturday, July 8
Start: 2:00 PM
End: 5:00 PM
Room: Kent A-C
 
As the structural complexity of technologically and scientifically relevant materials increases, so too must the sophistication of structural characterization strategies increase. An important trend in this direction has recently emerged in the form of multimodal structural studies, in which multiple experimental and simulation techniques and analysis methods are combined synergistically to provide a comprehensive picture of the structure, ranging from local structure to microstructure to average structure, and from surface to bulk. This type of coordinated, coherent approach to utilizing complementary probes can provide far more information than would be available from individual probes considered in isolation. This session provides a forum for the latest developments in multimodal structural studies. Abstracts are welcome from all fields of science that involve structural characterization with diffraction, spectroscopy, scattering, microscopy techniques, and beyond. Research that employs novel experimental design or simultaneous use of multiple probes in a single experiment will be highlighted.

 

FEATURING A 2023 ETTER STUDENT LECTURER AWARD WINNER:
Title: Synthesis and Structural investigation of novel Barium Molybdenum Hollandite structures
Author: Eslam E Elbakry
Sponsoring SIG: Small Molecule 
 
1.2.2 Complementary methods to study metalloenzymes
Session Chair(s): Gloria Borgstahl & Nicholas Schnicker
Sponsoring SIG(s): Biological Macromolecules
Date: Saturday, July 8
Start: 2:00 PM
End: 5:00 PM
Room: Laurel AB
 
Metalloproteins are involved in many critical cellular processes, and around one-third of all proteins in nature use at least one metal ion. In addition to the typical experimental techniques used to study metalloproteins, recently, there have been considerable advances in deep/machine learning and other computational-based approaches to investigate metalloproteins. This session will highlight the complementary experimental and computational methods used to understand the fascinating mechanisms of metalloproteins
1.2.3 Creating Function Through Intentional Solid-State Structural Design. A James A. Ibers Memorial Session
Session Chair(s): Jim Kaduk & Danielle Gray
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s):  Industrial, Canadian
Date: Saturday, July 8
Start: 2:00 PM
End: 5:00 PM
Room: Waterview AB
 
James A. Ibers (9 June 1930 – 14 December 2021) worked at the Shell Development Company and Brookhaven National Labs before ultimately landing at Northwestern University as a full professor in 1965 where he spent the entirety of his academic career. He never considered himself a crystallographer, but always an inorganic chemist who happened to use crystallography as a tool to understand structure, bonding and function of compounds and materials. His career as an inorganic chemist spanned many areas including coordination chemistry, hydrogen bonding in solids, coordination clusters, and solid-state compounds. Towards the end of his career, he concentrated on the solid-state chemistry of uranium and neptunium chalcogenides and pnictides. He was particularly interested in tellurium and its propensity to form chains in solids. Te, however, can also have intermediate “bond” lengths that are not quite a bond and yet not long enough to be considered non-bonding. This makes Te an interesting atom that often leads to difficulty with charge balancing. Ultimately Jim built his career on examining structure to understand function with the ability to one day use rational design in creating new functional solid-state materials. He held many honors including being a member of U.S. National Academy of Sciences and a member of the American Academy of Arts and Sciences. His awards include the Linus Pauling Medal, the Luigi Sacconi Medal, the Bailar Medal, and of course he was our own ACA Martin J. Buerger Awardee in 2002. Jim would not want us to focus an entire session on his accomplishments but would rather see his influence on trying to create function through intentional structural design.  To read more about Jim and his amazing accomplishments check out the ACA history page...
 
1.2.4 Small Angle Scattering To Characterize Structurally Complex Materials
Session Chair(s): Tom Fitzgibbons, Lilin He
Sponsoring SIG(s): Small Angle Scattering
CoSponsoring SIG(s): Neutrons, Industrial, Materials, Canadian
Date: Saturday, July 8
Start: 2:00 PM
End: 5:00 PM
Room: Waterview CD
 

Complex materials exhibit hierarchical structures with unique geometries. Structural characterization of such materials is extremely challenging. Small angle scattering, often combined with wide angle scattering and modeling approaches have been playing an essential role in elucidating many of these complex structures. In this session we will discuss recent advances in the characterization of complex geometric systems such as polymers, ceramics, porous materials, lyotropic liquid crystals, and other hierarchical systems formed through self-assembly or multicomponent interactions. The structure that exists within these systems and at their interfaces govern the observed macroscopic properties of the material. Gaining this understanding and therefore control of the structure and interfacial properties will allow for the rational design of new materials for applications ranging from energy storage, gas capture, water purification to food science.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD TALK:
Title: Mapping of pathological inclusions in human brain tissue with Alzheimer’s disease
Author: Abdullah Al Bashit
Sponsoring SIG: Best Practices for Data Analysis & Archiving SIG
 
 
[Cancelled] 1.2.5 Handling High Data Rates

 

1.2.5 Alternative Methods to Predict and Solve Crystal Structures II
Session Chair(s): Luca Iuzzolino & Wenqian Xu
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Industrial, Materials, Powder, Service
Date: Saturday, July 8
Start: 2:00 PM
End: 5:00 PM
Room: Laurel CD
 
This session aims to showcase work involving alternative methods to traditional single crystal X-ray diffraction for predicting and solving crystal structures of small molecules. Examples include, but are not limited to, three-dimensional electron diffraction, small angle scattering, crystal structure prediction (CSP) methods, solid state NMR techniques, and structure solution from powder diffraction and total scattering data.

 

Poster Session #1
Date: Saturday, July 8
Start: 5:30 PM
End: 7:30 PM

Room: Exhibit Hall

We are delighted to invite you to the first of three engaging and insightful poster sessions.  The poster session promises to be a vibrant and dynamic event, offering you the chance to engage directly with presenters, ask questions, and delve deeper into their work. This interactive format allows for meaningful discussions and fosters collaborations among participants.  The poster session will be complemented by light refreshments, creating a relaxed and informal atmosphere conducive to networking. It's an ideal setting to meet fellow attendees, expand your professional network, and forge new connections within your field of interest.  We also encourage you to visit our vendors located throughout the exhibit show area.  

 

YSIG Mixer
Date: Saturday, July 8
Start: 8:00 PM
Room: James Joyce Bar & Restaurant (616 President Street, Baltimore, MD 21202)
 

The YSIG Mixer aims to provide a relaxed and inclusive environment for early career professionals to meet and mingle with fellow attendees from various backgrounds and industries. Whether you're a recent graduate, a young professional, or transitioning into a new field, this event will offer a valuable platform to foster connections and build meaningful relationships.

 

Sunday, July 9, 2023 [Day #2] 

2.1.1 Cool Structures I
Session Chair(s): Nate Barker, Jeff Bacon, Alex Erickson & Kamran Ghiassi
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Young Scientist, Canadian
Date: Sunday, July 9, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Waterview AB
 

This session aims to highlight exciting structures in the realm of chemical crystallography. Examples of 'cool' structures would include small molecules of interest for their chemical or crystallographic properties, structure-property relationships, extended structures, supramolecular materials, and co-crystals. The session will bring the science enabled by chemical crystallographic analysis to the foreground. Speakers will be selected from contributed abstracts. Submissions from students are encouraged.  

FEATURING A 2023 ETTER STUDENT LECTURER AWARD WINNER:
Title: Redox-coupled structural distortions in quasi-1-dimentional Au2MP2
Author: Scott Lee
Sponsoring SIG: Young Scientist Interest Group
 
 

2.1.2 Structures from Artificial Intelligence
Session Chair(s): Melanie Vollmar & Jennifer Wierman
Sponsoring SIG(s): Best Practices
CoSponsoring SIG(s): Biological Macromolecules
Date: Sunday, July 9, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Laurel CD

Over the last four years the field of structural biology, for proteins in particular, has experienced a profound change. At synchrotron facilities data is acquired at a breath-taking speed, leaving many a scientist struggling to keep pace with data handling and analysis. The data resolution achieved with cryo-EM has now safely moved into a range that makes atomic model building routine and cryo-imaging as a whole now enables the study of large, macromolecular machines in situ. Lastly, the unprecedented quality of protein models from structure prediction has opened new ways of conducting research in structural biology. Both, the prediction of structures and the interpretation of large amounts of high-resolution data, require sophisticated, computational models. Hence, machine learning (ML) and artificial intelligence (AI) are now close to becoming standard tools for structural biologists to conduct their data analysis and interpretation. In this session we will look at the most recent ML and AI tools and developments that could now be in any structural biologist’s data analysis repertoire.


2.1.3 New Developments in cryoEM and cryoET
Session Chair(s): Anchi Cheng & Anthony Fitzpatrick
Sponsoring SIG(s): CryoEM
Date: Sunday, July 9, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Essex A-C

Technological developments in cryo-EM and cryo-ET have been the driving force moving the field forward. This season will focus on the latest technological developments in cryo-EM, including both hardware and software.

 

2.1.4 Automation in Software, Hardware and Data Processing
Session Chair(s): Peter Beaucage & Ruipeng Li
Sponsoring SIG(s): Small Angle Scattering
CoSponsoring SIG(s): Light Sources
Date: Sunday, July 9, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Laurel AB

Recent advances such as fourth-generation synchrotron sources, high-flux neutron sources, and fast pixel-array detectors have shifted the primary time-intensive step of SAS and XPCS measurement from data collection to sample delivery and data processing, reduction, and analysis. The experiment lifecycle from measurement to actionable insight has dramatically shortened from weeks of manual data analysis to live, on-the-fly reduction and analysis that enables users to make decisions about next measurement steps ‘live’ and lays the groundwork for closed-loop autonomous scattering experiments. This session will highlight recent and upcoming advances in the area of high-throughput, automated, and autonomous data processing. While beamlines and facilities will be a major focus, examples of laboratory source automation and user-developed data pipelines are also encouraged.


2.1.5 DEI: Expanding Access & Opportunities in Structural Science
Session Chair(s): Eta Isiorho & Christina Bourne
Sponsoring SIG(s): Biological Macromolecules
CoSponsoring SIG(s): Light Sources, Canadian Division, Industrial, Young Scientist, General Interest
Date: Sunday, July 9, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Kent A-C

The term “DEI” encompasses many ideals and recognizes that diversity enriches the scientific process by providing wider viewpoints. Numerous studies support that increased diversity of a workforce enhances success at companies and in academic teams. However, access to the scientific enterprise is still subjected to gatekeeping and requires on-going strategies to increase equity. Further, reinforcing inclusive environments provides benefits by both facilitating and enhancing retention of diverse talent.

In the structural sciences many advances are contributing to the ideals of DEI, as will be highlighted in this session. These include expanded access to specialized tools, such as synchrotron beam lines and cryoelectron microscopes, enhanced communication programs including animations and interactive applications, and outreach programs providing opportunities for new engagement. Because issues around DEI require a variety of approaches, a Q&A panel hosted by diverse and knowledgeable individuals will be held at the end of the session.

FEATURING A 2023 ETTER STUDENT LECTURER AWRAD:
Title: A Snowball Effect of Opening Doors and Offering Sustained Support for Early Career Scientists
Author: Lindsey Backman
Sponsoring SIG: Powder 

 

[Cancelled] 2.1.6: Roles of Structural Science in Science Communication

 

PL1 Etter Award: Kristin M. Hutchins (Texas Tech University)
Session Chair(s): Cora Lind-Kovacs
Date: Sunday, July 9, 2023
Start: 11:30 AM
End: 12:30 PM
Room: Essex A-C

The Professor Margaret C. Etter (1943-1992) Early Career Award was established to recognize outstanding achievement and exceptional potential in crystallographic research demonstrated by a scientist at an early stage of their independent career. The award is established to honor the memory of Professor Margaret C. Etter (1943-1992), who was a major contributor to the field of organic solid-state chemistry.  


2.2.1 Cool Structures II
Session Chair(s): Nate Barker, Jeff Bacon, Alex Erickson & Kamran Ghiassi
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Young Scientist, Canadian
Date: Sunday, July 9, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Waterview AB

This session aims to highlight exciting structures in the realm of chemical crystallography. Examples of 'cool' structures would include small molecules of interest for their chemical or crystallographic properties, structure-property relationships, extended structures, supramolecular materials, and co-crystals. The session will bring the science enabled by chemical crystallographic analysis to the foreground. Speakers will be selected from contributed abstracts. Submissions from students are encouraged.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD:
Title: Think, Pair, Share: Insight into Electronic Structure from Single Crystal Structures of Redox-Active Ligands
Author: Sophie Anferov
Sponsoring SIG: Service 
 
 
 

2.2.2 Artificial Intelligence, Machine Learning, and Other Data Science Techniques Applied to Structure Determination, Materials Characterization, Experiment Control and Data Analysis
Session Chair(s): Taylor Sparks & William Ratcliff
Sponsoring SIG(s): Neutron/Materials/Powder
Date: Sunday, July 9, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Laurel CD

In this session, we will have an exciting range of talks on applications of data science, machine learning, and artificial intelligence towards structure determination. Topics covered will include advances in automation of experiments, adaptive design, structural modeling, generative models, and structural prediction.

 

[Cancelled] 2.2.3: Structural Biology in Space

 

2.2.3 General Interest II
Session Chair(s): Victoria Drago & Tim Stachowski 
Date: Sunday, July 9, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Waterview CD

General Interest sessions are the forum for topics of broad interest to the structural science or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.

 
2.2.4 Machine learning in cryo-EM

Session Chair(s): Alexis Rohou & Michael Cianfrocco
Sponsoring SIG(s): CryoEM
Date: Sunday, July 9, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Essex A-C

Machine learning has been increasingly applied in all aspects of cryo-EM, particularly in cryo-EM image processing. This session will focus on algorithm development and the application of machine learning in cryo-EM. We will highlight how machine learning affects the cryo-EM structure determination process, including data collection, micrograph and tomogram interpretation, 3D structure analysis, model building, and annotation.

 
FEATURING A 2023 ETTER STUDENT LECTURER AWARD WINNER:
Title: Deep learning for reconstructing in situ structural landscapes from cryo-electron tomography
Author: Ellen D Zhong
Sponsoring SIG: CryoEM
 
 
FEATURING A 2023 ETTER STUDENT LECTURER AWARD WINNER:
Title: 3D Flexible Refinement: Determining Structure and Motion of Flexible Proteins from Cryo-EM
Author: Ali Punjani
Sponsoring SIG: Industrial SIG 
 

 

2.2.5 Serial Crystallography
Session Chair(s): Iris Young, Petra Fromme
Sponsoring SIG(s): Best Practices
CoSponsoring SIG(s): Biological Macromolecules, Light Sources, Small Molecule
Date: Sunday, July 9, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Kent A-C

Alongside rotation crystallography, serial crystallography has emerged as a powerful method for structure determination, with advantages for certain samples or experimental designs. At XFELs, so-called "diffraction-before-destruction" enables probing extremely radiation sensitive materials, from metalloenzymes to MOFs. Serial crystallography also opens up time-resolved experiments across time scales ranging from seconds to femtoseconds. Such experiments place new demands on sample delivery, instrumentation, and data processing methods as well. Finally, the introduction of microED as a robust structure determination technique raises the possibility of serial electron diffraction as an analogous technique to serial X-ray diffraction. This session highlights some of these advances, their unique promises and challenges, and their context at the forefront of crystallographic structure solution.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD:
Title: Micro-structured polymer fixed-targets (MISP-chips) for serial crystallography at synchrotrons and XFELs
Author: Melissa Carrillo
Sponsoring SIG: Light Sources 
 
FEATURING THE 2023 ACA STRUCTURAL DYNAMICS JUDITH FLIPPEN ANDERSON MEMORIAL TALK
Title: High-resolution Crystal Structures of Transient Intermediates in the Phytochrome Photocycle
Author: Emina Stojkovic 
 

Session 2.2.5 is designated as the official Structural Dynamics session.

 

2.2.6 Enzyme Allostery and Regulation in Enzymatic Systems

Session Chair(s): Will Thomas & Max Watkins
Sponsoring SIG(s): Small Angle Scattering
CoSponsoring SIG(s): Biological Macromolecules
Date: Sunday, July 9, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Laurel AB

Proper regulation is fundamental to biological systems, and this regulation often proceeds through allosteric control and binding of effectors at sites other than an active site. While not quite the “spooky action at a distance” that Einstein warned of, the communication of allosteric binding is nonetheless quite the curiosity, often involving long intra-protein distances and surprising or intricate changes in protein conformational ensemble. Though still challenging to study, uncovering the mysteries of allostery are of increasing interest for exploring novel avenues of pharmaceutical development as well as for understanding protein dynamics at a fundamental level. Fortunately, recent advances in structural biology techniques, especially solution scattering and cryo-electron microscopy, have increasingly enabled global-level studies of allosterically-driven conformational and oligomeric state changes. This session focuses on the use of structural biology techniques, with a particular emphasis on solution small-angle scattering, to gain insight into mechanisms of allosteric regulation, making them a little less “spooky” but no less wondrous.

 
Poster Session #2
Date: Sunday, July 9
Start: 5:30 PM
End: 7:30 PM

Room: Exhibit Hall

We are delighted to invite you to the second of three engaging and insightful poster sessions.  The poster session promises to be a vibrant and dynamic event, offering you the chance to engage directly with presenters, ask questions, and delve deeper into their work. This interactive format allows for meaningful discussions and fosters collaborations among participants.  The poster session will be complemented by light refreshments, creating a relaxed and informal atmosphere conducive to networking. It's an ideal setting to meet fellow attendees, expand your professional network, and forge new connections within your field of interest.  We also encourage you to visit our vendors located throughout the exhibit show area.  

 

SPONSORED EVENT: Rigaku Mixer

Sunday, July 3, 2023
Start: 7:00 PM ET
End: 9:00 PM ET
James Joyce Bar & Restaurant (616 President Street, Baltimore, MD 21202)

 

2.3.1 Career Odysseys
Session Chair(s): Samantha Powell & Daniel Kneller
Sponsoring SIG(s): Biological Macromolecules
CoSponsoring SIG(s): Industrial, Service, Young Scientist, General Interest
Date: Sunday, July 9, 2023
Start: 7:30 PM
End: 9:30 PM
Room: Essex A-C

This session will target students, postdocs and early career scientists seeking to learn more about a variety of career paths. We will feature speakers from academia, industry, and government serving in a variety of roles. This will be an interactive session, with audience participation encouraged.  

 

Monday, July 10, 2023 [Day #3] 

3.1.1 Total Scattering: Applications and Advances in Complex Materials
Session Chair(s): Allyson Fry-Petit & Daniel Olds
Sponsoring SIG(s): Neutron/Materials/Powder
Date: Monday, July 10, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Waterview CD

This session will feature a mixture of talks on developments in both neutron and x-ray total scattering techniques (e.g. AI-informed modeling and experimental control, multimodal analysis, dynamical PDF, 3D-ΔPDF, in-situ experimental capabilities, thin-film PDF, etc) and applications of total scattering to topical materials. As total scattering methods continue to grow in impact in diverse fields, this session will be useful for newcomers and experienced practitioners alike.

FEATURING A 2023 STUDENT LECTURER AWARD WINNER:
Title: Metal Oxygen Bond Anisotropy and Size Effects Scattering in V1-xMxO2 (M = Nb, Mo)
Author: Jacob Phillips
Sponsoring SIG: Materials 
 

3.1.2 Quantum Crystallography I
Session Chair(s): Yu-Sheng Chen, Florian Kleemiss & Krzysztof Wozniak
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Best Practices, Service
Date: Monday, July 10, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Kent A-C

This Session is dedicated to advances and results obtained in the field of Quantum Crystallography (QCr). QCr involves theoretical and practical aspects of using quantum mechanics during the investigation of crystalline materials. Both directions - the improvement of crystallographic analysis based on quantum mechanical models and the improvement of quantum mechanical methods based on crystallographic data - are covered within this field.

QCr models go beyond the spherical atom approach, ranging from Multipole Models over Hirshfeld Atom Refinement (HAR) to the calculations of experimentally enhanced wavefunctions. They yield better agreement with experimental data and allow for deepened understanding of the properties of materials. Applications for the investigation of intermolecular interactions, bonding indicators, atomic displacement, electronic states, relativistic effects, electron correlation effects, and redistribution of electron density are invited as well as work under non-ambient conditions using these methods. Systems under investigation range from inorganic network structures all the way to large structures such as proteins. This symposium invites crystallographers interested in these new approaches, method developers as well as those who are interested in applications across all experimental techniques (also including X-ray and electron diffraction) and theoretical approaches to obtain high-quality structural, electronic or thermal information.

 

3.1.3 Structural Genomics: Past, Present and Future

Session Chair(s): David Rose & Stephen Burley
Sponsoring SIG(s): Biological Macromolecules
Date: Monday, July 10, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Laurel CD

Some 30 years ago, the bold concept of high-throughput determination of macromolecular structures was both visionary and controversial. In retrospect, it set the stage for many of the technical advances that are now standard operating procedures in structural biology, including both biophysical and computational prediction approaches. The goal of this session is to showcase some of the unique contributions of structural genomics in advancing our knowledge of macromolecular structure, accelerating progress in chemical biology and drug discovery, understanding human health and disease, and training structural biology researchers. Talks will include perspectives of past and current Structural Genomics efforts, early-career investigators who got their start through SG, and discussions about how SG will evolve in the coming years.


3.1.4 Small Molecule MicroED - Expanding Possibilities and Implementation
Session Chair(s): Jessica Bruhn & Dan Decato
Sponsoring SIG(s): Industrial
CoSponsoring SIG(s): Service, Small Molecule, Cryo EM
Date: Monday, July 10, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Waterview AB

The emerging field of microcrystal electron diffraction (MicroED), a 3D ED technique, has enabled solving high-resolution crystal structures without the need to grow large crystals and hence has attracted significant interest across various fields. Though MicroED is a relatively new technique, since its initial demonstration it has enabled structure elucidation for a variety of targets that were intractable by other techniques, and it is quickly gaining momentum in the scientific community, with more than 250 unique MicroED structures deposited in the CCDC along with numerous associated publications. This session will focus on examples of how MicroED has been used for structure determination of a variety of samples, highlighting the strengths, future prospects and thereby providing a platform to exchange ideas about future directions. Talks highlighting industrial applications and the process of establishing core facilities are highly encouraged.

 

3.1.5 New sample preparation technology for cryo-EM and cryo-ET
Session Chair(s): Jianhua Zhao & David Taylor
Sponsoring SIG(s): CryoEM
CoSponsoring SIG(s): BioMac
Date: Monday, July 10, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Essex A-C

Developments in cryo-EM and cryo-ET imaging technology have revolutionized our ability to see the atomic structure of proteins and biological macromolecules in the cellular environment. However, the success of many research projects remains limited by issues of sample yield, stability, and orientation bias. In this session, we explore and discuss new developments in sample preparation technologies that address current challenges and open doors to exciting areas of biology.

 

3.1.6 Validating Models from the Data, Other Data, and Theory
Session Chair(s): Joseph Ferrara & John Rose
Sponsoring SIG(s): Best Practices
CoSponsoring SIG(s): Small Molecule
Date: Monday, July 10, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Laurel AB

The stakeholders in data management include the scientists and the manufacturers of the instruments producing the data, the caretakers and curators of the data, and the general user community which include members of the preceding groups.

In a perfect world, the raw data and its metadata should be stored in a format that will be readable indefinitely. Should the metadata include the raw data format and version information of the software used to produce the results? Should the processing software (HKL, XDS, DIALS, SHELX* etc.), including any input scripts, be stored in a database for posterity? Should software for downstream analysis, (PHENIX, CCP4, CCP-EM, Olex2, etc.) be stored in the same database, for example? Some disciplines have excellent data management while others do not. For those that do not, what can we do better?

Lastly, how does AI fit into the larger picture data management window?

In this session we will explore the current and future best practices in data management from the perspective of the three stakeholder groups described in the first paragraph. John Helliwell, Chair of the IUCr Committee on Data will give the keynote presentation to open the session.

 
PL2 Rognlie Award: Majed Chergui (EPFL, Lausanne)*
Session Chair(s): Cora Lind-Kovacs
Date: Monday, July 10, 2023
Start: 11:30 AM
End: 12:30 PM
Room: Essex A-C
 

David (Dave) Rognlie was a dedicated and much loved member of the crystallographic community, interacting over many years with a large number of scientists through his activities as owner of Blake Industries. The award is intended to embody Dave’s values and personality: His generosity of spirit, optimism, selflessness and unstinting desire to help others to succeed in their endeavors. The award will be for any meritorious discovery or advance in structural science by someone at any stage of their career.   

*Dr. Chergui will be not be joining ACA2023 in person but instead forwarding a prerecorded video and connecting for questions via telephone.  

 

3.2.1 Quantum Crystallography II
Session Chair(s): Krzysztof Wozniak, Florian Kleemiss & Yu-Sheng Chen
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Best Practices, Service
Date: Monday, July 10, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Kent A-C

This Session is dedicated to advances and results obtained in the field of Quantum Crystallography (QCr). QCr involves theoretical and practical aspects of using quantum mechanics during the investigation of crystalline materials. Both directions - the improvement of crystallographic analysis based on quantum mechanical models and the improvement of quantum mechanical methods based on crystallographic data - are covered within this field.

QCr models go beyond the spherical atom approach, ranging from Multipole Models over Hirshfeld Atom Refinement (HAR) to the calculation of experimentally enhanced wavefunctions. They yield better agreement with experimental data and allow deepened understanding of the material under investigation. Applications for the investigation of intermolecular interactions, bonding indicators, atomic displacement, electronic states, relativistic effects, electron correlation effects, and redistribution of electron density are invited as well as work under non-ambient conditions using these methods. Systems under investigation range from inorganic network structures all the way to large structures like proteins. This symposium invites crystallographers interested in these new approaches, method developers as well as these crystallographers who are interested in applications across all experimental techniques (also including X-ray and electron diffraction) and theoretical approaches to obtain high-quality structural, electronic or thermal information. 

 
3.2.2 Materials for Energy and Sustainability: Structure, Properties, and Materials in Action

Session Chair(s): Tyger Salters & Alicia Manjon Sanz
Sponsoring SIG(s): Neutron/Materials/Powder
CoSponsoring SIG(s): Light Sources
Date: Monday, July 10, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Laurel AB

In pursuit of a sustainable future, structural studies play an important role in the development of functional materials for energy conversion and storage. Crystallography and scattering techniques enable the discovery and elucidation of useful structure-property relationships in crystalline and disordered materials. Such relationships are critical to the design and optimization of batteries, fuel cells, thermoelectric and photovoltaic cells, catalysts, piezoelectric devices, and gas separation technologies, among others. Continuing development of in-situ and in-operando techniques also provide critical understanding of these materials under the conditions of their intended use.

This session will cover emerging interdisciplinary work in the study of materials for energy and sustainability applications, with a focus on how structural studies, both steady-state and time-resolved, lend mechanistic insight into functional material design and optimization.

 

3.2.3 Small Molecule MicroED 2- Expanding Possibilities and Implementation
Session Chair(s): Ana Pakzad & Daniel Decato
Sponsoring SIG(s): Industrial
Date: Monday, July 10, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Waterview AB

The emerging field of microcrystal electron diffraction (MicroED), a 3D ED technique, has enabled solving high-resolution crystal structures without the need to grow large crystals and hence has attracted significant interest across various fields. Though MicroED is a relatively new technique, since its initial demonstration it has enabled structure elucidation for a variety of targets that were intractable by other techniques, and it is quickly gaining momentum in the scientific community, with more than 250 unique MicroED structures deposited in the CCDC along with numerous associated publications. This session will focus on examples of how MicroED has been used for structure determination of a variety of samples, highlighting the strengths, future prospects and thereby providing a platform to exchange ideas about future directions. Talks highlighting industrial applications and the process of establishing core facilities are highly encouraged.

3.2.4 Complementary BioSAXS and BioSANS Sample Environments

Session Chair(s): Hugh O'Neill, Susana Teixeira
Sponsoring SIG(s): Small Angle Scattering
CoSponsoring SIG(s): Neutrons
Date: Monday, July 10, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Waterview CD

Recent and upcoming improvements at synchrotron and neutron sources have fostered interest in the development of new sample environment modalities for biomolecular small-angle scattering (BioSAS) experiments. These are particularly important because of the challenges associated with limited sample availability, polydispersity, enhanced sensitivity of biomolecule solutions to radiation and their environment, which are key aspects in determining the feasibility of BioSAS studies. This session targets both researchers who have never used small angle scattering techniques, interested in learning more about what an experiment entails, and more advanced facility users with an interest in contributing towards developments in sample environment instrumentation. The complementarity of BioSANS and BioSAXS will be discussed in this context, such as automation and machine-learning for industrial formulation discovery, low temperature capabilities for studies of the effects of freezing/thawing, high-pressure induced folding and stability studies, and in-line size-exclusion chromatography for deconvolution of polydisperse samples. We invite a discussion on these and other sample environment developments, as well as new challenges for biomolecular and bio-inspired materials.

 
3.2.5 Hot Structures

Session Chair(s): Charles Stewart & Jonathan Clinger
Sponsoring SIG(s): Biological Macromolecules
Date: Monday, July 10, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Essex A-C

The Hot Structures session will feature talks primarily selected from submitted abstracts describing the newest results from structural studies of biologically important macromolecules. Submissions are welcome that describe high-impact structures which provide new insights into biological phenomena, structure-function relationships and methods development. Studies may include the use of X-ray crystallography, XFEL, CryoEM, Small Angle X-ray Scattering or hybrid methods, including those that incorporate predictive/computational modeling.

 

3.2.6 Structure of Nucleic Acid
Session Chair(s): Melanie Ohi & Yuan He
Sponsoring SIG(s): cryo-EM
CoSponsoring SIG(s): BioMac
Date: Monday, July 10, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Laurel CD
 

RNA, DNA, and nucleic acid-protein complexes remain challenging targets for structural biology. Nucleic acids are often structurally flexible even when complexed to their protein partners and it can be difficult to purify large enough quantities of stable nucleic acids or nucleic-protein complexes for conventional structural approaches such as NMR or X-ray crystallography. This session focuses on presenting approaches and techniques for using cryo-EM to determine structures of dynamic nucleic acids and nucleic-protein complexes.

FEATURING A 2023 ETER STUDENT LECTURE AWARD WINNER:
Title: Structure of a 10-23 Deoxyribozyme Captured in a Precatalytic State
Author: Evan Cramer
Sponsoring SIG: Biological Macromolecules 
Poster Session #3
Date: Monday, July 10
Start: 5:30 PM
End: 7:30 PM

Room: Exhibit Hall

We are delighted to invite you to the first of three engaging and insightful poster sessions.  The poster session promises to be a vibrant and dynamic event, offering you the chance to engage directly with presenters, ask questions, and delve deeper into their work. This interactive format allows for meaningful discussions and fosters collaborations among participants.  The poster session will be complemented by light refreshments, creating a relaxed and informal atmosphere conducive to networking. It's an ideal setting to meet fellow attendees, expand your professional network, and forge new connections within your field of interest.  We also encourage you to visit our vendors located throughout the exhibit show area.  

 

PL4 Wood Award: Juan Manuel García-Ruiz (CSIC-University of Granada)

Session Chair(s): Cora Lind-Kovacs
Date: Monday, July 10, 2023
Start: 7:30 PM
End: 9:30 PM
Room: Essex A-C

This award is named in honor of Elizabeth A. Wood, President of the ACA in 1957, and author of science books for lay readers.  This award honors those who have written books or articles that bring science to the attention of a wider audience.  Read more about the Wood Award and Juan Manuel's accomplishments...


3.3.1 Would You Publish This?
Session Chair(s): Matthew Brown & Rebecca McAuliffe
Sponsoring SIG(s): Biological Macromolecules, Canadian Division, General Interest, Powder, Small Molecule, Young Scientist
CoSponsoring SIG(s): Service
Date: Monday, July 10, 2023
Start: 7:30 PM
End: 9:30 PM
Room: Kent A-C

Is your structure too poor to publish? What compromises would you have to make to publish your "low quality" structure? Do you have some less then ideal powder data that you still think you can make something useful with? If you have ever asked yourself these questions, then share your problems, insights, structures, and advice with the service crystallography community. This is a great opportunity for young crystallographers to share their work, where they can interact with a friendly audience, who with years of experience will provide constructive advice. Problems might include charge imbalance or other chemical issues, poor resolution or data completeness, complicated disorder, highly restrained models, unexplained residual electron density, suspicious of an incommensurate structure, etc. Talks in this session will be restricted to approximately 5 minutes in order to encourage audience participation and discussion. All talks will be selected from submitted abstracts. Those who submit abstracts to this session may still submit a second abstract to other sessions at no additional fee. For the first time this year this session is open to non-small molecule talks; Powder, protein and other types of crystallography are welcome!

 

Tuesday, July 11, 2023 [Day #4] 

4.1.1 The Economics of Structural Science, in Memory of Carlos Murillo
Session Chair(s): Larry Falvello, Brian Mahon & Dubravka Sisak Jung
Sponsoring SIG(s): Service
CoSponsoring SIG(s): Industrial
Date: Tuesday, July 11, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Kent A-C

Scientists cannot escape the restraint imposed by the cost of their research. This session examines the past, current, and future states of funding and profit in the world of structural sciences, which covers structural biology and materials science. Researchers currently need to navigate an ecosystem of resources which span academia, industry, government, and non-profit agencies. Topics include: How does funding drive the need and availability of structural scientific results? Why support structural science? Funding a service lab and justifying the cost. How does a contract research lab make services economically feasible? Also, how do young investigators leverage the movement of government agencies funding centralized national centers or regional cores?


4.1.2 SAS in Vaccines and Drug Delivery Systems
Session Chair(s): Alice Thwin, Suzette Pabit
Sponsoring SIG(s): Small Angle Scattering
CoSponsoring SIG(s): Industrial
Date: Tuesday, July 11, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Waterview AB

Small-Angle X-ray scattering and Neuron Scattering are well-established experimental techniques that allow for structural characterization of biomaterials in solution under physiologically relevant conditions. These techniques allow for the acquisition of relevant data in real world conditions and has the potential to accelerate the development of biopharmaceutical products. SAXS and SANS can give nanometer and sub-nanometer structure information to help optimize pharmaceutical efficacy on a timescale not seen before. This session will highlight both success stories where SAS techniques were used for the development of vaccines, antibodies and drug delivery systems and at the same time address current considerations and challenges in using SAS for drug product development.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD WINNER:
Title: Redefining the characterization paradigm of RNA lipid nanoparticles
Author: Sarah J Shepherd
Sponsoring SIG: SAS
4.1.3 Structure Based Drug Design

Session Chair(s): Elizabeth Sprague, Alice Thwin & Sandra Gabelli
Sponsoring SIG(s): Industrial
CoSponsoring SIG(s): Biological Macromolecules, Cryo EM
Date: Tuesday, July 11, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Essex A-C

In this session we will feature applications of structural biology methods to drug discovery. Possible topics may include structure/function studies to inform drug discovery, hit validation, lead optimization challenges and fragments with a particular interest in examples involving a variety of techniques (e.g. xray, NMR, EM, in silico, biophysics, etc). Technology or methods development in these areas is also of interest


4.1.4 One Weird Trick
Session Chair(s): Charles Bou-Nader & Jonathan Hermann
Sponsoring SIG(s): Biological Macromolecules
CoSponsoring SIG(s): Service, Canadian
Date: Tuesday, July 11, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Laurel CD

Structural scientists approach experimentation through a uniquely empirical lens, one often dominated by trial and error. As such, the success or failure of a structural technique can sometimes rely on small experimental details which may initially appear unintuitive or unimportant. Rather than relegate these important details to a strategic sentence or two within a manuscript’s methods section, this session aims to highlight these unexpected methodological advances in structural science workflows. As structural techniques evolve faster than ever to adapt to new technologies and samples, this session will feature practical developments that may or may not warrant a formalized manuscript, but nevertheless were essential to the success of a structural investigation.

4.1.5 Exploring Intermolecular Forces and Interactions

Session Chair(s): Peter Corfield & Joe Reibenspies
Sponsoring SIG(s): Small Molecule
CoSponsoring SIG(s): Industrial
Date: Tuesday, July 11, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Laurel AB

This session will explore how crystal structures can be used to understand intermolecular forces and interactions. Talks focusing either on tools (such as CrystalExplorer) or specific case studies are welcome


4.1.6 Magnetism, Symmetry, and Electronic Correlations in Topological Materials and Other Quantum Systems.
Session Chair(s): Keith Taddei & Jared Allred
Sponsoring SIG(s): Neutron/Materials/Powder
CoSponsoring SIG(s): Materials, Neutrons, Powder
Date: Tuesday, July 11, 2023
Start: 8:30 AM
End: 11:30 AM
Room: Waterview CD

This session will focus on the central importance of symmetries in determining the properties of topological and quantum materials. Talks will focus on time reversal symmetry breaking, symmetry protection and the corresponding exotic correlated electron and topological states they can enforce such as magnetic insulators, Weyl/Dirac semimetals, topological superconductivity, quantum spin liquids, and quantum magnetism.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD WINNER:
Title: Coupling of charge density wave to a spin cycloid in topological semimetal NdSbxTe2−x−δ
Author: Tyger Salters
Sponsoring SIG: Neutron Scattering 
 


PL3 Patterson Award: Tamir Gonen (UCLA)
Session Chair(s): Cora Lind-Kovacs
Date: Tuesday, July 11, 2023
Start: 11:30 AM
End: 12:30 PM
Room: Essex A-C

The Patterson Award is given to recognize and encourage outstanding research in the structure of matter by diffraction methods, including significant contributions to the methodology of structure determination and/or innovative application of diffraction methods and/or elucidation of biological, chemical, geological or physical phenomena using new structural information.   

 

4.2.1 Crystal Structures in Drug Product Design
Session Chair(s): Rajni Bhardwaj & Amy Sarjeant
Sponsoring SIG(s): Industrial
CoSponsoring SIG(s): Small Molecule
Date: Tuesday, July 11, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Essex A-C

Crystal engineering is one of the key approaches which is utilized in pharmaceutical industries to obtain optimum drug product. The arrangement of molecules of active pharmaceutical ingredient (API) in crystal structure determines its various properties including physical, chemical, thermodynamic, kinetic, spectroscopic, mechanical, and surface properties. A thorough understanding of the relationships between crystal structures and the properties of API is critical in selecting the solid state form which can be manufactured reliably and reproducibly. These properties can also have major impact on formulation processing and drug product properties. This session aims to examine the role of crystal structures in designing and selecting solid state form to obtain optimum drug product. Topics may include design & realization of solid forms & their properties, solid form selection and risk assessment, structure property relationships e.g. hydration/dehydration, physical & chemical stability, compressibility & tabletability, role of solid state form in selection of formulation platform.

 
4.2.2 The Future of Light Sources

Session Chair(s): Tiffany Kinnibrugh
Sponsoring SIG(s): Light Sources
CoSponsoring SIG(s): YSIG, Canadian
Date: Tuesday, July 11, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Waterview AB

Technological advancements in automation, new protocols and equipment for mail-in and remote access, and brighter sources are enabling new research areas and opportunities for diversity and inclusion. Coupling these advances with machine learning (ML) and artificial intelligence (AI) is impacting both the materials and MX science. This session will provide an overview of the impact that these advances are having on the field of structural sciences now and in the future.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD:
Title: Solution characterization of the dynamic conjugative entry exclusion protein TraG
Author: Nicholas Bragagnolo
Sponsoring SIG: Canadian Division 
 


4.2.3 Computational techniques for SAS
Session Chair(s): Thomas Weiss & Steve Meisburger
Sponsoring SIG(s): Small Angle Scattering
CoSponsoring SIG(s): Best Practices
Date: Tuesday, July 11, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Waterview CD

Small-Angle Scattering (SAS) has emerged as a powerful technique for integrating high resolution structural information to visualize complex molecular behaviors in solution. The success of artificial intelligence (AI) and machine learning (ML) for structure prediction has made SAS more important than ever: there is a growing need to provide solution context and validation for predicted structures in a robust and high-throughput fashion. This session highlights new experimental and computational approaches for SAS to meet the challenges and opportunities created by AI & ML, as well as scientific applications of SAS enabled by new computational methods.


4.2.4 Electron Tomography
Session Chair(s): Lindsey Backman & Devrim Acehan
Sponsoring SIG(s): Biological Macromolecules
Date: Tuesday, July 11, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Kent A-C

Typically, when scientists think of structural biology, their minds turn to high-resolution macromolecular structures obtained through methods such as X-ray crystallography and electron microscopy. Although resulting in lower resolution data, electron tomography (ET) provides researchers with the ability to obtain structural and spatial information for macromolecules, within the context of cellular environments. This session will highlight specimen preparation, data collection, data processing, and analysis developments that are enabling researchers to push the current limits for ET. In addition, you will hear stories about new applications for how ET is combined with light microscopy, structural, and biochemical methods to gain insights into how various macromolecules function within cells.

 
4.2.5 Macromolecular Microcrystal Electron Diffraction

Session Chair(s): Sarah Bowman & Brent Nannenga
Sponsoring SIG(s): CryoEM
CoSponsoring SIG(s): BioMac
Date: Tuesday, July 11, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Laurel CD

Taking advantage of vanishingly small crystals and electron microscopy instrumentation in diffraction mode, microcrystal electron diffraction (MicroED) is a rapidly growing method for structure determination of biological macromolecules. This session will focus on 1) new macromolecular structures determined using MicroED and 2) methodological advances in MicroED techniques.

FEATURING A 2023 ETTER STUDENT LECTURER AWARD TALK:
Title: Design and implementation of suspended drop crystallization
Author: Cody Gillman
Sponsoring SIG: MicroED

 

4.2.6 General Interest III
Session Chair(s): Karen Glass & Tim Mueser
Sponsoring SIG(s): General Interest
CoSponsoring SIG(s): Canadian
Date: Tuesday, July 11, 2023
Start: 2:00 PM
End: 5:00 PM
Room: Laurel AB

General Interest sessions are the forum for topics of broad interest to the structural science or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.

 
All Members Business Meeting
Date: Tuesday, July 11, 2023
Start: 5:00 PM
End: 6:00 PM
Room: Essex A-C

 

Cocktail Hour & Closing Banquet
Date: Tuesday, July 11, 2023
Start: 6:30 PM 
Doors Open: 7:00 PM
End: 10:00 PM
Room: Harbor Ballroom
 

To mark the conclusion of this exceptional event, we cordially invite you to attend the Closing Banquet, where we will celebrate the accomplishments of the conference and provide an opportunity for networking and socializing in a relaxed setting. The banquet will be a delightful evening filled with great food, entertainment, and camaraderie among fellow attendees.

 

WEDNESDAY, JULY 12, 2023 

2024 Planning Meeting 
Date: Wednesday, July 12, 2023
Start: 8:00 AM
End: 12:00 PM
Room:  Essex A-C