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Occupancy and quality of the bound ligand models. (a) Histogram of binding ligand occupancies and (b) the relationship between refined occupancy and the ligand real-space correlation coefficient (RSCC). Although most of the ligands are bound at well below unitary occupancy, the quality of the ligand models remains high, with RSCCs greater than 0.75. Full validation details including the use of additional metrics are listed for each model in supplementary material, Table A2.
