Gyre and gimble: a maximum-likelihood replacement for Patterson correlation refinement.
Published version
Peer-reviewed
Repository URI
Repository DOI
Change log
Authors
McCoy, Airlie J
Usón, Isabel
Abstract
Descriptions are given of the maximum-likelihood gyre method implemented in Phaser for optimizing the orientation and relative position of rigid-body fragments of a model after the orientation of the model has been identified, but before the model has been positioned in the unit cell, and also the related gimble method for the refinement of rigid-body fragments of the model after positioning. Gyre refinement helps to lower the root-mean-square atomic displacements between model and target molecular-replacement solutions for the test case of antibody Fab(26-10) and improves structure solution with ARCIMBOLDO_SHREDDER.
Description
Keywords
Patterson correlation refinement, antibodies, crystallographic phasing, fragment-based molecular replacement, maximum likelihood, Crystallography, X-Ray, Databases, Protein, Humans, Immunoglobulin Fab Fragments, Likelihood Functions, Models, Molecular, Protein Conformation, Rotation, Software
Journal Title
Acta Crystallogr D Struct Biol
Conference Name
Journal ISSN
2059-7983
2059-7983
2059-7983
Volume Title
74
Publisher
International Union of Crystallography (IUCr)
Publisher DOI
Sponsorship
Biotechnology and Biological Sciences Research Council (BB/L006014/1)
Wellcome Trust (082961/Z/07/A)
STFC
National Institutes of Health (NIH) (via University of California) (6801943)
National Institutes of Health (NIH) (via University of California) (6801943)
Wellcome Trust (082961/Z/07/Z)
National Institute of General Medical Sciences (P01GM063210)
Wellcome Trust (209407/Z/17/Z)
Wellcome Trust (082961/Z/07/A)
STFC
National Institutes of Health (NIH) (via University of California) (6801943)
National Institutes of Health (NIH) (via University of California) (6801943)
Wellcome Trust (082961/Z/07/Z)
National Institute of General Medical Sciences (P01GM063210)
Wellcome Trust (209407/Z/17/Z)