Real-space refinement in PHENIX for cryo-EM and crystallography.

ABSTRACT: This article describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. Refinement of atomic models against low-resolution data benefits from the inclusion of as much additional information as is available. In addition to standard restraints on covalent geometry, phenix.real_space_refine makes use of extra information such as secondary-structure and rotamer-specific restraints, as well as restraints or constraints on internal molecular symmetry. The re-refinement of 385 cryo-EM-derived models available in the Protein Data

SUBMITTER: Afonine PV 

PROVIDER: S-EPMC6096492 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature