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Figure 5
Radar plots clearly display the suspect features of a ligand and indicate when the validation scores deviate from ideal values. Validation plots for the ligand in §[link]3.3 are shown in (a) for the ligand-only model and in (b) for the ligand when refined as an ensemble (scores are for the ligand residue only). Limits and thresholds for the validation plots are detailed in Supplementary Table S5. The ligand-only model shows that unmodelled features are present with a large RSZD. The ensemble model (with high-quality phases) scores well on all metrics, and remains close to the centre of the plot.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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