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Figure 5
Results of the MR structure solution of α-BI-3812 (X-ray diffraction data) with the complete molecule as the search fragment and data resolution of (a) 1.0 Å, (b) 1.5 Å, (c) 2 Å, Frag3 as the search fragment and the data resolution of (d) 1.0 Å, (e) 1.5 Å, (f) 2 Å, and Frag1 and Frag2 as search fragments and data resolution of (g) 1.0 Å, (h) 1.5 Å, (i) 2 Å. The molecular configuration of the crystal structure (wire representation) is overlaid with the search fragment (bold bonds) and the obtained electron-density map (blue mesh). The 2mFo − DFc maps are contoured at 1.3σ above the mean, the densities are carved to 2 Å around the selected atoms. The mFo − DFc maps for (d), (e) and (f) are shown in Fig. S7. |
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