Improved low-resolution crystallographic refinement with Phenix and Rosetta.

TitleImproved low-resolution crystallographic refinement with Phenix and Rosetta.
Publication TypeJournal Article
Year of Publication2013
AuthorsDiMaio, F., Echols N., Headd J. J., Terwilliger T. C., Adams P. D., & Baker D.
JournalNature methods
Volume10
Issue11
Pagination1102-4
Date Published2013 Nov
ISSN1548-7105
KeywordsCrystallography, X-Ray, Models, Molecular, Primary Publication
Abstract

Refinement of macromolecular structures against low-resolution crystallographic data is limited by the ability of current methods to converge on a structure with realistic geometry. We developed a low-resolution crystallographic refinement method that combines the Rosetta sampling methodology and energy function with reciprocal-space X-ray refinement in Phenix. On a set of difficult low-resolution cases, the method yielded improved model geometry and lower free R factors than alternate refinement methods.

DOI10.1038/nmeth.2648
Custom1

http://www.ncbi.nlm.nih.gov/pubmed/24076763?dopt=Abstract

Alternate JournalNat. Methods