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Acknowledging Errors: Advanced Molecular Replacement with Phaser.

Accepted version
Peer-reviewed

Type

Article

Change log

Authors

McCoy, Airlie J 

Abstract

Molecular replacement is a method for solving the crystallographic phase problem using an atomic model for the target structure. State-of-the-art methods have moved the field significantly from when it was first envisaged as a method for solving cases of high homology and completeness between a model and target structure. Improvements brought about by application of maximum likelihood statistics mean that various errors in the model and pathologies in the data can be accounted for, so that cases hitherto thought to be intractable are standardly solvable. As a result, molecular replacement phasing now accounts for the lion's share of structures deposited in the Protein Data Bank. However, there will always be cases at the fringes of solvability. I discuss here the approaches that will help tackle challenging molecular replacement cases.

Description

Keywords

LLGI, Maximum likelihood, Molecular replacement, Crystallization, Crystallography, X-Ray, Data Interpretation, Statistical, Databases as Topic, Likelihood Functions, Models, Molecular, Protein Conformation, Proteins, Software

Journal Title

Methods Mol Biol

Conference Name

Journal ISSN

1064-3745
1940-6029

Volume Title

Publisher

Springer New York
Sponsorship
Biotechnology and Biological Sciences Research Council (BB/L006014/1)
This work was supported by grant BB/L006014/1 from the BBSRC, UK.