 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 5]](hc5045fig5mag.jpg)
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Figure 5
(a) Superposition of the 2.6 and 2.8 Å isomorphous difference cross-Fourier maps contoured at 3σ showing the interaction of caesium (green) or iodide (purple) ions with the corresponding CYP46A1 model (yellow or brown, respectively). Interactions are displayed as green dashes. Close caesium and iodide sites are observed near Arg76, which has moved in the NaI model (brown) and makes a contribution to the isomorphous difference signal (magenta mesh). The third interaction of Cs4, with the carbonyl of Asn388, is obscured in this view. (b) View of a twofold crystallographic symmetry-generated protein interface. The iodide (I8) sits on the twofold axis, flanked by four symmetry-related lysine side chains and two symmetry-related glycerol (GOL) molecules; the symmetry-generated molecules are colored lavender. This is one of four iodide sites that lacks hydrogen bonds; the lysine Nζ–I distance is 6 Å. This figure was drawn using XFIT/RASTER3D (Merritt & Bacon, 1997  ). |
![[Figure 5]](hc5045fig5.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
