Improved low-resolution crystallographic refinement with Phenix and Rosetta

Nat Methods. 2013 Nov;10(11):1102-4. doi: 10.1038/nmeth.2648. Epub 2013 Sep 29.

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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Crystallography, X-Ray / methods*
  • Models, Molecular