Journal
PROTEIN SCIENCE
Volume 22, Issue 6, Pages 865-868Publisher
WILEY
DOI: 10.1002/pro.2267
Keywords
cryo-electron microscopy; protein structure; model validation; model refinement
Categories
Funding
- NIH [P41GM103832, PN2EY016525, R01GM079429, R01GM092802]
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An increasing number of cryo-electron microscopy (cryo-EM) density maps are being generated with suitable resolution to trace the protein backbone and guide sidechain placement. Generating and evaluating atomic models based on such maps would be greatly facilitated by independent validation metrics for assessing the fit of the models to the data. We describe such a metric based on the fit of atomic models with independent test maps from single particle reconstructions not used in model refinement. The metric provides a means to determine the proper balance between the fit to the density and model energy and stereochemistry during refinement, and is likely to be useful in determining values of model building and refinement metaparameters quite generally.
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