4.2 Article

Image processing tools for the validation of CryoEM maps

Journal

FARADAY DISCUSSIONS
Volume 240, Issue -, Pages 210-227

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/d2fd00059h

Keywords

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Funding

  1. Spanish Ministry of Science and Innovation [PID2019-108850RA-I00, PID2019-109820RB-I00]
  2. European Regional Development Fund (ERDF), A way of making Europe
  3. MICIN of the Instruct Image Processing Center (I2PC) as part of the Spanish participation in Instruct-ERIC
  4. European Strategic Infrastructure Project (ESFRI)
  5. MCIN/AEI [PID2019-104757RB-I00, PRE2020 - 093527]
  6. ERDF A way of making Europe
  7. European Union
  8. ESF Investing in your future
  9. Comunidad Autonoma de Madrid [S2017/BMD-3817]
  10. Instituto de Salud Carlos III (project IMPaCT-Data) [exp. IMP/00019]
  11. European Regional Development Fund (ERDF, A way to make Europe)
  12. European Union (EU)
  13. Horizon 2020 [INFRAEOSC-04-2018, Proposal: 824087, Proposal: 810057, WIDESPREAD-03-2018 - Proposal: 857203, EINFRA-EOSC-5, Proposal: 857647, Proposal: 871037, Proposal: 101024130]

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This article proposes a new map validation scheme that takes into account not only the agreement between maps and models, but also factors such as 2D classes, particles, angles, coordinates, defoci, and micrographs. The scheme uses a progressive classification system to qualitatively evaluate the validation status of the results.
The number of maps deposited in public databases (Electron Microscopy Data Bank, EMDB) determined by cryo-electron microscopy has quickly grown in recent years. With this rapid growth, it is critical to guarantee their quality. So far, map validation has primarily focused on the agreement between maps and models. From the image processing perspective, the validation has been mostly restricted to using two half-maps and the measurement of their internal consistency. In this article, we suggest that map validation can be taken much further from the point of view of image processing if 2D classes, particles, angles, coordinates, defoci, and micrographs are also provided. We present a progressive validation scheme that qualifies a result validation status from 0 to 5 and offers three optional qualifiers (A, W, and O) that can be added. The simplest validation state is 0, while the most complete would be 5AWO. This scheme has been implemented in a website https://biocomp.cnb.csic.es/EMValidationService/ to which reconstructed maps and their ESI can be uploaded.

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