Unsupervised determination of protein crystal structures.

ABSTRACT: We present a method for automatic solution of protein crystal structures. The method proceeds with a single initial model obtained, for instance, by molecular replacement (MR). If a good-quality search model is not available, as often is the case with MR of distant homologs, our method first can automatically screen a large pool of poorly placed models and single out promising candidates for further processing if there are any. We demonstrate its utility by solving a set of synthetic cases in the 2.9- to 3.45-Å resolution.

SUBMITTER: Ufimtsev IS 

PROVIDER: S-EPMC6561213 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature