Table 3. Structure solution and refinement.
Values in parentheses are for the outer shell.
| PDB code | 4ggb | 4hpn |
|---|---|---|
| Resolution range (Å) | 38.7–2.0 (2.07–2.00) | 25.7–1.6 (1.62–1.60) |
| Completeness (%) | 98.7 (99.0) | 100.0 (100.0) |
| No. of reflections, working set | 28435 (2675) | 62856 (2553) |
| No. of reflections, test set | 1446 (139) | 3190 (158) |
| Final R cryst (%) | 19.6 (25.0) | 13.8 (20.0) |
| Final R free (%) | 23.4 (32.9) | 16.1 (24.6) |
| No. of non-H atoms | ||
| Protein | 2675 | 2962 |
| Water | 186 | 479 |
| Total | 2869 | 3449 |
| R.m.s. deviations | ||
| Bonds (Å) | 0.012 | 0.020 |
| Angles (°) | 1.15 | 1.67 |
| Average B factors (Å2) | ||
| Protein | 21.8 | 14.1 |
| Ion (Ca2+) | 49.5 | 10.6 |
| Water | 24.7 | 27.3 |
| Ramachandran plot | ||
| Most favored (%) | 97.4 | 97.4 |
| Allowed (%) | 2.6 | 2.6 |