Table 2. Structure solution and refinement.
Values in parentheses are for the outer shell.
| Apo DnmZ | dTDPDnmZ | |
|---|---|---|
| Resolution range () | 48.973.00 (3.0813.00) | 98.452.74 (2.812.74) |
| Completeness (%) | 97.6 (92.52) | 98.0 (77.02) |
| Cutoff | F > 0.000(F) | F > 0.000(F) |
| No. of reflections, working set | 36262 (2357) | 48689 (2699) |
| No. of reflections, test set | 1937 (117) | 2618 (123) |
| Final R factor (%) | 21.0 (29.0) | 17.4 (27.3) |
| Final R free (%) | 26.5 (34.8) | 23.5 (35.6) |
| No. of non-H atoms | ||
| Protein | 11438 | 11558 |
| Ligand | 0 | 100 |
| Water | 27 | 113 |
| Total | 11465 | 11771 |
| R.m.s.d. | ||
| Bonds () | 0.011 | 0.013 |
| Angles () | 1.496 | 1.762 |
| Average B factors (2) | ||
| Protein | 100.116 | 61.685 |
| Ligand | n/a | 94.654 |
| Water | 76.0 | 50.705 |
| Ramachandran plot | ||
| Most favoured (%) | 95.0 | 95.0 |
| Allowed (%) | 5.0 | 5.0 |