Gyre and gimble: a maximum-likelihood replacement for Patterson correlation refinement

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 r...

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Detalles Bibliográficos
Autores principales: McCoy, Airlie J., Oeffner, Robert D., Millán, Claudia, Sammito, Massimo, Usón, Isabel, Read, Randy J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5892877/
https://www.ncbi.nlm.nih.gov/pubmed/29652255
http://dx.doi.org/10.1107/S2059798318001353
Descripción
Sumario: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.

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