Gentle and fast all-atom model refinement to cryo-EM densities via a maximum likelihood approach
Fig 6
Refinement of an all-atom GroEL cryo-EM structure (PDB id 5W0S state 1) into experimental cryo-EM density (EMD-8750, additional map 3).
a Final structure models from density-guided simulations using different similarity scores colored by unaligned root mean square coordinate deviation (RMSD) per residue from the deposited model (PDB id 5W0S state 3). b Fourier shell correlation of starting structure (gray line), rigid-body fit of the starting model to the target density (blue) as well as refinement results in the last simulation frame (solid lines) deviations of an equilibrium simulation (dotted lines). c Unweighted FSC average over the course of refinement simulation.