 | Acta Crystallographica Section A Acta Crystallographica Section A FOUNDATIONS AND ADVANCES |
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![[Figure 7]](lu5029fig7mag.jpg)
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Figure 7
Results of the MR structure solution of β-BI-3812 (ED data) with different conformers of Frag3 as search fragments. In the top row are the scattering potential maps for nine conformers search including the correct geometry (values of torsional angle 26°, 28°, 30°, 32°, 34°, 36°, 38°, 40°, 42°) and ED data resolution of (a) 1.0 Å, (b) 1.5 Å, (c) 2 Å. The bottom row represents obtained scattering potential maps for the five-member torsion conformers set (42°, 44°, 46°, 48°, 50°), without the correct conformation with the data resolution of (d) 1.0 Å, (e) 1.5 Å, (f) 2 Å. The molecular configuration of the crystal structure (wire representation) is overlaid with the selected 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. |
![[Figure 7]](lu5029fig7.jpg)
| FOUNDATIONS ADVANCES |
ISSN: 2053-2733
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