TABLE 2.
Statistics for data collection and structural refinement of the C130A mutant
The values in parentheses are for the highest resolution shell.
| Data collection | |
| Space group | P21 21 21 |
| Cell dimension (Å) | 58.5, 97.6, 98.2 |
| Resolution range (Å) | 50−1.69 (1.75−1.69) |
| Total observations | 845,432 (47,758) |
| Unique reflections | 62,403 (5,427) |
| Completeness (%) | 98.6 (87.2) |
| I/σ<I> | 42.7 (2.2) |
| Rmerge (%) | 6.1 (73.4) |
| Refinement | |
| Resolution range (Å) | 50−1.69 (1.70−1.69) |
| Reflections (F > 0 σF) | 62,403 (636) |
| Rcryst (%) for 90% data | 19.7 (31.8) |
| Rfree (%) for 10% data | 22.4 (31.2) |
| Root mean square deviations | |
| Bond lengths (°) | 0.005 |
| Bond angles (°) | 1.31 |
| Mean B value (Å2) | |
| 3,721 protein atoms | 23.3 |
| 53 FAD atoms | 17.8 |
| 423 water molecules | 33.8 |