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Structure Refinement Statistics.
|
BthII1283 SAH |
BthII1283 SAH 1,6-DDMT |
|
|---|---|---|
| No. of reflections | 112,141 | 54,199 |
| No. of reflections in working set | 106,620 | 51,534 |
| Resolution (Å) | 1.39 | 1.77 |
| No. of protein atoms | 3,636 | 3,594 |
| No. of waters | 573 | 462 |
| No. of ligand atoms | 152 | 176 |
| RMSD bonds (Å) | 0.005 | 0.006 |
| RMSD angles (deg) | 0.942 | 0.881 |
| Rwork (%) | 14.8 | 15.2 |
| Rfree (%) | 16.8 | 18.4 |
| Ramachandran analysis | ||
| Most favored (%) | 91.9 | 92.1 |
| Additional allowed (%) | 7.9 | 7.9 |
| Generously allowed (%) | 0.3 | 0.0 |
