Oct 1, 2013

Improved low-resolution crystallographic refinement with Phenix and Rosetta

Nature Methods
Frank DiMaioDavid Baker

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.

Mentioned in this Paper

Crystallography, X-Ray
Radiographic Imaging Procedure
R Factors
Plain X-ray

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