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Figure 4
Structural statistics of the crystallographic structure with PDB code 3k9p, the derivative scrambled model, four models from the Amber-based refinement procedure and 32 models from the Phenix-based refinement procedure. Abbreviations: Rama, Ramachandran; MP, MolProbity; CDL, conformation-dependent library; Amb, Amber ff14SB; SA, simulated annealing; TAD, torsional angle dynamics; CC, Cartesian coordinates; WO, weight optimization; BO, B-factor optimization (see Section 2.5[link] for further details). The best (i.e. lowest Rfree) Amber-refined model is indicated by pink shading and the best Phenix-refined model by green shading.

IUCrJ
Volume 9| Part 1| January 2022| Pages 114-133
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521011891