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Cryo‐EM model validation using independent map reconstructions
Author(s) -
DiMaio Frank,
Zhang Junjie,
Chiu Wah,
Baker David
Publication year - 2013
Publication title -
protein science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.353
H-Index - 175
eISSN - 1469-896X
pISSN - 0961-8368
DOI - 10.1002/pro.2267
Subject(s) - metric (unit) , trace (psycholinguistics) , algorithm , computer science , resolution (logic) , cryo electron microscopy , statistical physics , atomic model , biological system , data mining , physics , artificial intelligence , biology , nuclear magnetic resonance , linguistics , operations management , philosophy , economics , programming language
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.