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![[Figure 2]](gin5003fig2mag.jpg)
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Figure 2
The cholesterol ligand of interest in PDB entry 8ivl has been fitted into electron density that is better explained by an endogenous fatty acid. (a) The cholesterol ligand in the PDB deposition is a poor fit to the electron density and has a strained conformation. † Note that the three atoms with zero occupancy do not contribute to the X-ray map calculation and consequently the RSCC is improved. (b) Refinement after Coot was used to interactively refit the cholesterol molecule to improve its geometry; this resulted in a worse fit to the electron density. (c) Modelling the ligand as the anion of a stearate fatty acid results in a much better density fit and in improved ligand-validation metrics. Figure produced using Coot with the BUSTER 2mFo − DFc map contoured at 0.8 r.m.s.d. shown as a grey mesh and the mFo − DFc difference maps contoured at 3.0 r.m.s.d. shown as red (negative) and green (positive) solid surfaces. |
![[Figure 2]](gin5003fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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