XXV General Assembly and Congress of the International Union of Crystallography - IUCr 2021

Session

MS-7: High troughput vs. careful planning: How to get the best data?

Time:

Sunday, 15/Aug/2021:

10:20am - 12:45pm

Session Chair: John Richard Helliwell
Session Chair: Selina Lea Sophie Storm

Location: Club H

100 1st floor

Invited: Danny Axford (UK), Aina Cohen (USA)

Session Abstract

The experimental data (diffraction intensities, EM images, etc.) are obviously the primary source for all subsequent elucidation of macromolecular structures. The highest possible quality of these data is therefore of crucial importance. Many user-friendly and automatic programs are available for measuring and quality-estimation of data obtained by various techniques, but it is sometimes not clear which factors play most important roles for the veracity and accuracy of the final structural
models. However, the tendency to perform the experiments quickly and automatically contradicts to some extent the necessity of carefully selecting the optimal experimental strategy. The presentations in this session will discuss the influence of various factors on the final result and advice how to efficiently plan experiments for obtaining optimal data, leading to stuctural models of best possible quality.

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.

Introduction

Presentations

10:20am - 10:25am

Introduction to session

John Richard Helliwell, Selina Lea Sophie Storm

10:25am - 10:55am

Next-generation Automation and Remote-access Crystallography

Aina Cohen

Stanford Synchrotron Radiation Lightsource (SSRL) and Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, Stanford University, Menlo Park, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=484

10:55am - 11:25am

Strength in Numbers: Exploiting the space between single crystal oscillation and serial femtosecond crystallography

Danny Axford, Sam Horrell, Robin Leslie Owen

Diamond Light Source, Harwell Oxford, Didcot, OX11 0DE, United Kingdom

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=485

11:25am - 11:45am

Towards High-Throughput Autonomous Infrared Spectromicroscopy

Petrus Zwart, Liang Chen, Marcus Noack, Steven Lee, Patricia Valdespino Castillo, Hoi-Ying Holman

LBNL, Berkeley, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=486

11:45am - 12:05pm

Strategy in the age of 360° sweeps

Andreas Förster, Marcus Müller, Clemens Schulze-Briese

DECTRIS, Baden-Dättwil, Switzerland

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=487

12:05pm - 12:25pm

Exploring the mechanism of elastically flexible crystals by automatic analysis

Amy Jayne Thompson¹, Jason Price², Kate Smith², Jack Clegg¹

¹The University of Queensland, St Lucia, QLD, Australia; ²The Australian Synchrotron, Clayton, VIC, Australia

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=488

Finding the optimal resolution cutoff with PAIREF

Martin Malý^1,2, Kay Diederichs³, Jan Stránský², Kristýna Adámková^2,4, Tereza Skálová², Jan Dohnálek², Petr Kolenko^1,2

¹Czech Technical University in Prague, Czech Republic, Faculty of Nuclear Sciences and Physical Engineering; ²Institute of Biotechnology of the Czech Academy of Sciences, Biocev; ³University of Konstanz; ⁴University of Chemical and Technology Prague, Department of Biochemistry and Microbiology

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=489

Conference Agenda