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Publication Abstract from PubMed

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 Bank at resolutions of 6 A or better shows significant improvement of the models and of the fit of these models to the target maps.

Real-space refinement in PHENIX for cryo-EM and crystallography.,Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD Acta Crystallogr D Struct Biol. 2018 Jun 1;74(Pt 6):531-544. doi:, 10.1107/S2059798318006551. Epub 2018 May 30. PMID:29872004^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.