Acta Crystallographica Section D Structural BiologyBioinformaticsPeer-reviewed journal article
New tools for the analysis and validation of Cryo-EM maps and atomic models
Pavel V. AfonineiD, Bruno P. KlaholziD, Nigel W. MoriartyiD, Billy K. PooniD, Oleg V. SoboleviD, Thomas C. TerwilligeriD, Paul D. AdamsiD, Alexandre UrzhumtseviD
Abstract
Recent advances in the field of electron cryo-microscopy (cryo-EM) have resulted in a rapidly increasing number of atomic models of bio-macromolecules solved using this technique and deposited in the Protein Data Bank and the Electron Microscopy Data Bank. Similar to macromolecular crystallography, validation tools for these models and maps are required. While some of these validation tools may be borrowed from crystallography, new methods specifically for cryo-EM validation are required. We discuss new computational methods and tools implemented in Phenix, including d99 to estimate resolution, phenix.auto_sharpen to improve maps, and phenix.mtriage to analyze cryo-EM maps. We suggest that cryo-EM half-maps and masks are deposited to facilitate evaluation and validation of cryo-EM derived atomic models and maps. We also present the application of these tools to deposited cryo-EM atomic models and maps.
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