Solving protein structures by combining structure prediction, molecular replacement and direct-methods-aided model completion.

ABSTRACT: Highly accurate protein structure prediction can generate accurate models of protein and protein-protein complexes in X-ray crystallography. However, the question of how to make more effective use of predicted models for completing structure analysis, and which strategies should be employed for the more challenging cases such as multi-helical structures, multimeric structures and extremely large structures, both in the model preparation and in the completion steps, remains open for discussion. In this paper, a new strategy is proposed based on the framework of direct methods and dual-space iteration, which can greatly simplify the pre-processing steps of predicted models both in normal and in challenging cases. Following this strategy, full-length models or the conservative structural doma

SUBMITTER: Li Z 

PROVIDER: S-EPMC10916285 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature