Outcomes of the 2019 EMDataResource model challenge: validation of cryo-EM models at near-atomic resolution

This paper describes outcomes of the 2019 Cryo-EM Map-based Model Metrics Challenge sponsored by EMDataResource (www.emdataresource.org). The goals of this challenge were (1) to assess the quality of models that can be produced using current modeling software, (2) to check the reproducibility of modeling results from different software developers and users, and (3) compare the performance of current metrics used for evaluation of models. The focus was on near-atomic resolution maps with an innovative twist: three of four target maps formed a resolution series (1.8 to 3.1 Å) from the same specimen and imaging experiment. Tools developed in previous challenges were expanded for managing, visualizing and analyzing the 63 submitted coordinate models, and several novel metrics were introduced. The results permit specific recommendations to be made about validating near-atomic cryo-EM structures both in the context of individual laboratory experiments and holdings of structure data archives such as the Protein Data Bank. Our findings demonstrate the relatively high accuracy and reproducibility of cryo-EM models derived from these benchmark maps by 13 participating teams, representing both widely used and novel modeling approaches. We also evaluate the pros and cons of the commonly used metrics to assess model quality and recommend the adoption of multiple scoring parameters to provide full and objective annotation and assessment of the model, reflective of the observed density in the cryo-EM map.

Genki Terashi | Daisuke Kihara | Grigore D. Pintilie | Helen M. Berman | Matthew L. Baker | Paul D. Adams | Christopher J. Williams | Dong Si | Renzhi Cao | Jianlin Cheng | Zhe Wang | Wah Chiu | Ardan Patwardhan | Frank DiMaio | Ken A. Dill | Pavel V. Afonine | Soon Wen Hoh | Tom Burnley | Kevin Cowtan | Andriy Kryshtafovych | Bohdan Monastyrskyy | Jane S. Richardson | Thomas C. Terwilliger | Alberto Perez | Catherine L. Lawson | Liguo Wang | Tianqi Wu | Michael F. Schmid | Jonas Pfab | Colin M. Palmer | Peter B. Rosenthal | Grzegorz Chojnowski | Dilip Kumar | Sumit Mittal | Jie Hou | James S. Fraser | Xiaodi Yu | Martyn Winn | Benjamin A. Barad | Paul Bond | Daniel P. Farrell | Mark A. Herzik | Li-Wei Hung | Maxim Igaev | Agnel P. Joseph | Mateusz Olek | Daipayan Sarkar | Luisa U. Schäfer | Gunnar F. Schröder | Mrinal Shekhar | Abishek Singharoy | Andrea Vaiana | Stephanie A. Wankowicz | Kaiming Zhang | K. Dill | M. Baker | W. Chiu | D. Kihara | Jianlin Cheng | H. Berman | J. Richardson | A. Patwardhan | Liguo Wang | P. Adams | Andriy Kryshtafovych | G. Schröder | P. Rosenthal | M. Schmid | C. Lawson | T. Terwilliger | L. Hung | B. Monastyrskyy | J. Fraser | Alberto Pérez | A. Vaiana | A. Joseph | Renzhi Cao | Jie Hou | G. Pintilie | Kaiming Zhang | P. Afonine | Dong Si | Zhe Wang | K. Cowtan | Genki Terashi | M. Winn | D. Farrell | S. Wankowicz | Daipayan Sarkar | M. Shekhar | P. Bond | M. Igaev | S. Mittal | Tianqi Wu | M. Herzik | Jonas Pfab | T. Burnley | A. Kryshtafovych | F. DiMaio | Xiaodi Yu | Grzegorz Chojnowski | D. Kumar | Mateusz Olek | A. Singharoy | C. Palmer | B. Barad | Paul S. Bond

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