Exploiting distant homologues for phasing through the generation of compact fragments, local fold refinement and partial solution combination.

ABSTRACT: Macromolecular structures can be solved by molecular replacement provided that suitable search models are available. Models from distant homologues may deviate too much from the target structure to succeed, notwithstanding an overall similar fold or even their featuring areas of very close geometry. Successful methods to make the most of such templates usually rely on the degree of conservation to select and improve search models. ARCIMBOLDO_SHREDDER uses fragments derived from distant homologues in a brute-force approach driven by the experimental data, instead of by sequence similarity. The new algorithms implemented in ARCIMBOLDO_SHREDDER are described in detail, illustrating its characteristic aspects in the solution of new and test structures. In an advance from the previously publish

SUBMITTER: Millan C 

PROVIDER: S-EPMC5892878 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature