Gentle and fast all-atom model refinement to cryo-EM densities via a maximum likelihood approach
Fig 5
Refinement of an all-atom X-Ray aldolase structure (PDB id 6ALD) into experimental cryo-EM density (EMD-21023).
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 manually built model (PDB id 6V20). 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). The reported cryo-EM map resolution and 0.143 FSC are indicated with grey lines. c Unweighted FSC average over the course of refinement simulation.