Accurate model and ensemble refinement using cryo-electron microscopy maps and Bayesian inference.

ABSTRACT: Converting cryo-electron microscopy (cryo-EM) data into high-quality structural models is a challenging problem of outstanding importance. Current refinement methods often generate unbalanced models in which physico-chemical quality is sacrificed for excellent fit to the data. Furthermore, these techniques struggle to represent the conformational heterogeneity averaged out in low-resolution regions of density maps. Here we introduce EMMIVox, a Bayesian inference approach to determine single-structure models as well as structural ensembles from cryo-EM maps. EMMIVox automatically balances experimental information with accurate physico-chemical models of the system and the surrounding environment, including waters, lipids, and ions. Explicit treatment of data correlation and noise as well as

SUBMITTER: Hoff SE 

PROVIDER: S-EPMC11271924 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature