Table 4. Structure solution and refinement.
Values in parentheses are for the outer shell.
| UnGlnK | AdGlnK | |
|---|---|---|
| PDB code | 6cy6 | 6cy7 |
| Resolution range (Å) | 48.16–2.20 (2.28–2.20) | 22.41–1.80 (1.86–1.80) |
| Completeness (%) | 99.9 (100.0) | 99.6 (99.8) |
| No. of reflections, working set | 30714 (2999) | 53100 (5325) |
| No. of reflections, test set | 1540 (148) | 1288 (123) |
| Final R cryst | 0.208 (0.308) | 0.187 (0.278) |
| Final R free | 0.234 (0.326) | 0.223 (0.308) |
| No. of non-H atoms | ||
| Protein | 2480 | 4687 |
| Ligand | 47 | 93 |
| Water | 54 | 278 |
| Total | 2581 | 5086 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.004 | 0.009 |
| Angles (°) | 0.57 | 0.96 |
| Average B factors (Å2) | ||
| Overall | 59.0 | 43.2 |
| Protein | 58.9 | 43.7 |
| Ligand | 72.7 | 70.8 |
| Water | 51.0 | 42.4 |
| Ramachandran plot | ||
| Most favored (%) | 98.7 | 99.5 |
| Allowed (%) | 1.3 | 0.5 |