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


DLS-CCP4 Data Collection and Analysis Workshop December 10-17 2014

Thanks to everyone who attended the first DLS-CCP4 Workshop!

Lecture and tutorial slides

Day 1

Martin Walsh Welcome to the course
Katherine McAuley MX at Diamond Light Source
Ray Owens High throughput protein production for structural biology
Danny Axford In situ insight
Ralf Flaig Data collection with a mini kappa goniometer
Elspeth Garman Cryo-cooling and radiation damage
Lindsay Sawyer Some History of Protein Crystallography

Day 2

Gwyndaf Evans Crystallographic data collection for MX
Alexander Popov BEST: a program for optimal planning of X-ray data collection from protein crystals
Gordon Leonard Optimising MAD & SAD Experiments in MX
Stuart Fisher ISPyB2
Stephen Curry Why Should You Communicate Science (and how)
David Lawson Optimising the Diamond experience from a user's perspective
Neil Paterson (for Marcus Müller) Getting best data using Hybrid Photon Counting detectors

Day 3


Day 4


Day 5

Kay Diederichs Data quality indicators
Kay Diederichs Principles of data processing with XDS
Airlie McCoy Experimental Phasing
James Foadi BLEND: Complete data sets from multiple crystals
Andrea Thorn Twinning

Day 6

Andrea Thorn SHELXC/D/E
Navraj Pannu Automated protein structure solution for weak SAD data
Navraj Pannu (for Kevin Cowtan) Density modification
Judit Debreczeni Coot
Paul Emsley Beyond the Basics with Coot: Tools for Low Resolution, EM Map Fitting & Validation
Andrea Thorn Basic SHELXC/D/E tutorial
Andrea Thorn A difficult SAD case with SHELXC/D/E

Day 7

Airlie McCoy Molecular Replacement
Ronan Keegan Automated Molecular Replacement with MrBUMP
Jens Thomas AMPLE: Ab Initio Modelling of Proteins for Molecular Replacement
Fei Long BALBES: A Molecular Replacement Pipeline
Garib Murshudov Refinement
Rob Nicholls Low Resolution Refinement
Joana Pereira Automated Protein Model Building with ARP/wARP
Joana Pereira Classic Automated Model Building and Secondary Structure Identification with ARP/wARP

Day 8

Joana Pereira Small molecules: How to identify and build them (with ARP/wARP)
Joana Pereira Ligand building with ARP/wARP
Paul Emsley Manipulating Ligands Using Coot
Judit Debreczeni Crystallography in industry
Robbie Joosten Validation & optimisation
Eugene Krissinel Macromolecules in Crystals and Solutions
Stuart McNicholas CCP4MG