Verification: model-free phasing with enhanced predicted models in ARCIMBOLDO_SHREDDER.

ABSTRACT: Structure predictions have matched the accuracy of experimental structures from close homologues, providing suitable models for molecular replacement phasing. Even in predictions that present large differences due to the relative movement of domains or poorly predicted areas, very accurate regions tend to be present. These are suitable for successful fragment-based phasing as implemented in ARCIMBOLDO. The particularities of predicted models are inherently addressed in the new predicted_model mode, rendering preliminary treatment superfluous but also harmless. B-value conversion from predicted LDDT or error estimates, the removal of unstructured polypeptide, hierarchical decomposition of structural units from domains to local folds and systematically probing the model against the experimen

SUBMITTER: Medina A 

PROVIDER: S-EPMC9629495 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature