Gentle and fast all-atom model refinement to cryo-EM densities via a maximum likelihood approach
Fig 7
Cryo-EM data rectifies model distortions with density-guided simulations.
a Distorted starting model RMSD with respect to manually built model (PDB id 6V20). b Final model structure after refinement into a cryo-EM density (EMD-21023) using adaptive force scaling and relative-entropy similarity score. c Close-up of structural features of the final simulation model (green lines) and cryo-EM density (gray mesh). d Fourier shell correlation of starting structure (gray line) as well as refinement results in the last simulation frame (solid lines). The reported cryo-EM map resolution and 0.143 FSC value are indicated with grey lines. e Un-weighted FSC average over the course of a refinement simulation.