Table 1.
Data collection statistics for the DrRecQ crystals. Values in parentheses are for the highest resolution shell.
| DrRecQ | DrRecQ-ADP | |
|---|---|---|
| Data Collection | ||
| Wavelength (Å) | 0.9762 | 0.9762 |
| Space group | P212121 | P212121 |
| Unit Cell (Å) | 85.79, 98.52, 152.88 | 84.75, 95.61, 183.83 |
| Resolution range (Å) | 30–2.8 (2.9-2.8) | 30–2.9 (3.0-2.9) |
| Total observations | 86816 (9033) | 345728 (34587) |
| Unique reflections | 31511 (3115) | 33811 (3294) |
| Completeness (%) | 96.3 (96.6) | 99.9 (100.0) |
| I/σ〈I〉 | 15.6 (2.9) | 27.5 (3.8) |
| R merge (%) | 8.7 (54.3) | 7.6 (67.8) |
| Refinement | ||
| Resolution range (Å) | 30–2.8 (2.9-2.8) | 30-2.9 (3.0-2.9) |
| Reflections (F > 0 σ F) | 31482 (3068) | 33750 (3255) |
| R cryst (%) for 95% data | 21.3 (29.3) | 22.2 (32.8) |
| R free (%) for 5% data | 28.5 (37.6) | 29.5 (40.1) |
| RMS deviations | ||
| Bond lengths (Å) | 0.011 | 0.012 |
| Bond angles (°) | 1.58 | 1.78 |
| Average B-factors (Å2) | ||
| protein atoms | 56.8 | 71.3 |
| Zinc ion | 36.1 | 66.4 |
| ADP | 72.8 | |
| Number of nonhydrogen atoms | ||
| Protein | 7839 | 7943 |
| Zinc | 2 | 2 |
| ADP | 54 |