The befores and afters of molecular replacement.
This review addresses the essential questions to consider when attempting to phase a new crystal structure using molecular replacement. Sequence matching can suggest whether there is a suitable three-dimensional model available, but it is also important to analyse the model in order to find its likely oligomeric state and to establish whether there are likely to be domain movements. Once a solution has been found it must be refined, which can be challenging for low-homology models. There is a detailed discussion of structures used as examples for CCP4 tutorials.
Dodson
Eleanor
E
York Structural Biology Laboratory, Chemistry Department, University of York, York YO10 5DD, England. e.dodson@ysbl.york.ac.uk
D000465:Algorithms; D001426:Bacterial Proteins / Q000737:chemistry; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D006801:Humans; D007328:Insulin / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D017434:Protein Structure, Tertiary; D012984:Software
D001426:Bacterial Proteins; C108878:HypF protein, Bacteria; D007328:Insulin