Improved low-resolution crystallographic refinement with Phenix and Rosetta.
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.
1] Department of Biochemistry, University of Washington, Seattle, Washington, USA. [2].
Frank
F
DiMaio
Nathaniel
N
Echols
Jeffrey J
JJ
Headd
Thomas C
TC
Terwilliger
Paul D
PD
Adams
David
D
Baker
D018360:Crystallography, X-Ray / Q000379:methods*; D008958:Models, Molecular