Improved low-resolution crystallographic refinement with Phenix and Rosetta.
|Title||Improved low-resolution crystallographic refinement with Phenix and Rosetta.|
|Publication Type||Journal Article|
|Year of Publication||2013|
|Authors||DiMaio, F., Echols N., Headd J. J., Terwilliger T. C., Adams P. D., & Baker D.|
|Date Published||2013 Nov|
|Keywords||Crystallography, X-Ray, Models, Molecular, Primary Publication|
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.
|Alternate Journal||Nat. Methods|