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CCP4 Study Weekend

Molecular Replacement and its Relatives

University of York

5-6 January 2001

Friday 5th January

Session 1  Introduction, basic concepts

Rotation, angles and matrices
(introduction to nomenclature, Patterson methods)
Phil Evans
MRC Laboratory of Molecular Biology, Cambridge, UK
Molecular replacement method Michael Rossmann
Rossmann Lab at Purdue University

Session 2  Phaseless molecular replacement

Implementation of MR in AMoRe Jorge Navaza
AMoRe CNRS Gif-sur-Yvette - Laboratoire de Genetique des Virus
Likelihood-based molecular replacement Randy Read
BEAST Protein Crystallography Course for Structural Medicine
Locked rotation and translation functions Liang Tong
COMO Liang Tong Homepage
Patterson correlation method Ralf Grosse-Kunstleve
CNS Ralf's Presentation on-line
Molecular (Re)Placement Gerard Bricogne
Buster Development Group

Session 3  Case Studies

NMR trial models: experiences with Im7 and p85 SH2 Richard Pauptit
EM starting model Eleanor Dodson
Phasing from an envelope Qhan Hao
Qhan Hao at DMU
Electron density as starting model Jim Naismith
The Naismith Group

Saturday 6th January

Session 4 Finding a model from scanning genomics databases

Overview of structural genomics Janet Thornton
CATH UCL Biochemistry BSM Group
Finding motifs and putting them together Tom Oldfield
Data mining Tom Oldfield's MSI page
Threading as tool for model making David Jones
THREADER Brunel Bioinformatics Group

Session 5  Fragment fitting

FFFear Kevin Cowtan
FFFear Kevin Cowtan's homepage, University of York, UK
ARP/wARP for refining and rebuilding molecular replacement derived models Anastassis Perrakis
Spherically averaged phased translation function Alexei Vagin
Molrep Alexei Vagin's home page

Session 6  New approaches

Solution solution: MR with NMR Yu Wai Chen
Yu Wai Chen's Home Page
A stochastic approach to molecular replacement Nicholas M Glykos
Queen of Spades Nicholas M Glykos' homepage
Molecular Replacement using EPMR (Genetic algorithm Acta 55, 484-491) Charles Kissinger
The application of anomalous signal of sulphur from a single wavelength (CUKalpha) for routinely phasing protein diffraction data Cheng Yang