Collaborative Computational Project No. 4
Software for Macromolecular X-Ray Crystallography


DLS-CCP4 Data Collection and Structure Solution Workshop December 1st - 8th 2019

Lecture and tutorial slides

Day 1

Eugene Krissinel Welcome and introduction to CCP4
Katherine McAuley MX at Diamond
Dave Lawson Optimising the Diamond experience
David Aragao Practical MX data collection
Andreas Foerster How to collect best MX data
Nick Devenish Data processing with DIALS
Kay Diederichs Data processing with XDS and associated programs
Ed Lowe Cryo-cooling: why and how?
Robin Owen Radiation damage: why do we care?

Day 2


Day 3

Kay Diederichs Assessing data quality - noise, errors and mistakes
James Beilsten-Edmands Data reduction: scaling and merging data
Andrey Lebedev Introduction to symmetry
Ed Lowe Experimental phasing: the phase problem
Paula Salgado Experimental phasing: a practical perspective
Selina Storm What can you do at I24?

Day 4

Andrey Lebedev Pathologies and pseudosymmetry
Pavol Skubak Structure solution with Crank2
Dan Rigden Bioinformatics for structural biologists
Clemens Vonrhein Experimental phasing with SHARP/autoSHARP

Day 5

Ailsa Powell MX from an industrial perspective
Misha Isupov Introduction to MR
Airlie McCoy Phaser and phasing: part 1
Airlie McCoy Phaser and phasing: part 2
Emma Beale 3D electron diffraction
Ramona Duman Beamline I23 - long wavelength X-ray crystallography

Day 6

Ronan Keegan MR model selection, preparation and assessing the solution
Misha Isupov Molecular replacement experiences
Kevin Cowtan Automated phase improvement and model building
Clemens Vonrhein Revisiting some basic concepts: resolution, diffraction et al.
Agata Butryn Serial crystallography at Diamond and XFELs

Day 7

Oleg Kovalevskiy Refinement with REFMAC
Clemens Vonrhein Refinement, modeling and validation in BUSTER
Oleg Kovalevskiy Low resolution refinement
Halina Mikolajek Crystallisation facility
Juan Sanchez-Weatherby VMXi the only fully in situ fully remote beamline

Day 8

Eugene Krissinel Macromolecules and their interactions
Melanie Vollmar Machine Learning and Artificial Intelligence in MX
Stuart McNicholas CCP4MG
Colin Palmer Cryo-EM: 3D Electron Microscopy

Supported by: