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Figure 6
The effect of constrained and individual occupancy refinement of ligand halogen atoms on ligand validation metrics. Panels (a), (c) and (e), respectively, show the weighted isotropic B factor, the RSR and the RSCC plotted as a function of DWD for the BCL6 ligand 2 with constrained (red crosses) and individual (grey open circles) occupancy refinement. Panels (b), (d) and (f) show the same analysis for the HSP72 ligand 10.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 6| December 2024| Pages 1951-1965
https://doi.org/10.1107/S1600576724010549
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