Fragon: rapid high-resolution structure determination from ideal protein fragments.

ABSTRACT: Correctly positioning ideal protein fragments by molecular replacement presents an attractive method for obtaining preliminary phases when no template structure for molecular replacement is available. This has been exploited in several existing pipelines. This paper presents a new pipeline, named Fragon, in which fragments (ideal α-helices or β-strands) are placed using Phaser and the phases calculated from these coordinates are then improved by the density-modification methods provided by ACORN. The reliable scoring algorithm provided by ACORN identifies success. In these cases, the resulting phases are usually of sufficient quality to enable automated model building of the entire structure. Fragon was evaluated against two test sets comprising mixed α/β folds and all-β folds at resolutio

SUBMITTER: Jenkins HT 

PROVIDER: S-EPMC5947761 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature