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Nat Methods. 2013 Nov;10(11):1099-101. doi: 10.1038/nmeth.2644. Epub 2013 Sep 15.

Exploiting tertiary structure through local folds for crystallographic phasing.

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1
Instituto de Biología Molecular de Barcelona, Consejo Superior de Investigaciones Científicas, Barcelona, Spain.

Abstract

We describe an algorithm for phasing protein crystal X-ray diffraction data that identifies, retrieves, refines and exploits general tertiary structural information from small fragments available in the Protein Data Bank. The algorithm successfully phased, through unspecific molecular replacement combined with density modification, all-helical, mixed alpha-beta, and all-beta protein structures. The method is available as a software implementation: Borges.

PMID:
24037245
DOI:
10.1038/nmeth.2644
[Indexed for MEDLINE]
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