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Figure 7
Comparison of protein structure resolution and an overall structure-quality indicator, P(Q1), which combines Rfree, RSRZ (normalized real-space R-factor) outliers, Ramachandran outliers, rotamer outliers and clashscore into a percentile scale (Brzezinski et al., 2020BB4). The comparison involved models of PLpro (squares) and 3CLpro (circles). Higher values of P(Q1) represent better models. The colours indicate the severity of the problems detected by the https://codvid19.bioreproducibility.org server. An important lesson for all docking and/or computational studies is that structure quality does not depend on resolution only (see Supplementary Fig. S4).

IUCrJ
Volume 8| Part 3| May 2021| Pages 395-407
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521003018