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Figure 7
Electron-density and difference density maps for PDB entry 5kco after re-processing in autoPROC and re-refinement in BUSTER. The 6RO compound is shown with surrounding protein residues, a 2mFo − DFc density map at 1.0 r.m.s. and mFo − DFc difference density at 3.5 r.m.s.. The occupancy and isotropic B factor for the Cl atom are shown close to that atom, while those for the non-Cl atoms are shown below the compound. (a) Deposited model of 6RO in PDB entry 5kco. (b) After re-processing the raw diffraction data with autoPROC and refining a single occupancy over all compound atoms. (c) F(early) − F(late) map at 5.0 r.m.s. showing a strong peak at the Cl atom. (d) After using separate occupancy parameters for the Cl and non-Cl compound atoms.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 80| Part 3| March 2024| Pages 148-158
https://doi.org/10.1107/S2059798324001487
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