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![[Figure 4]](gm5104fig4mag.jpg)
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Figure 4
Comparison of various maps in the binding site of analogues 6A6, 11A7, 11A7_AL5 and 11A7_AL6 (row 1 to row 4, respectively). (a, d, g, j) PanDDA event maps [blue, 1.0σ, background density correction factor (BDC) = 0.37, 0.39, 0.18 and 0.25, respectively] and Z-maps (green/red, ±4.0σ). (b, e, h, k) Sulfur, iodine and bromine anomalous difference Fourier maps in the fragment region calculated from data collected at 4.5 keV (orange, 4σ) overlaid with mFo − DFc maps (green, 3.0σ) calculated from the 12.8 keV data. (c, f, i, l) Refined 2mFo − DFc maps (blue, 1.0σ) calculated from the 12.8 keV data with the S, I or Br atoms placed in the centres of their anomalous peaks. The 2mFo − DFc map is almost complete for 6A6 (c), 11A7 (f) and 11A7_AL6 (l) but is partial for 11A7_AL5 (i). In Figs. 4 ![[link]](../../../../../../logos/arrows/d_arr.gif){kind=small} , 5 and 6 and Supplementary Fig. S2, the C, N, O, S, F, Cl, Br and I atoms in the fragments are coloured cyan, blue, red, yellow, light blue, green, dark red and purple, respectively. |
![[Figure 4]](gm5104fig4.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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