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![[Figure 5]](gm5104fig5mag.jpg)
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Figure 5
Comparison of various maps in the binding site of analogues 1E7, 7G3 and 9D4 (row 1 to row 3, respectively). (a, d, g) PanDDA event maps (BDC = 0.44, 0.27 and 0.21, respectively) and Z-maps (green/red, ±4.0σ). (b, e, h) Sulfur and chlorine anomalous difference Fourier maps 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 in the fragment region. (c, f, i) Refined 2mFo − DFc maps (blue, 1.0σ) calculated from the 12.8 keV data with the S or Cl atoms placed in the centres of the anomalous peaks. The electron density completely accounts for 1E7, while only partial density is visible for 7G3 and 9D4, possibly due to their low occupancy. While one binding orientation was identified for 1E7, two binding orientations were evident for both 7G3 and 9D4. |
![[Figure 5]](gm5104fig5.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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