Table 1.
Data collection and refinement statistics
| Data collection | |
| Space group | P3121 |
| Cell dimensions - a, b, c (Å) | 56.0, 56.0, 165.9 |
| Wavelength (Å) | 0.97946 |
| Resolution (Å) | 1.25 |
| Reflections, observed / unique | 416669 / 84295 |
| Rsym | 5.5 (60.8) |
| I / σI | 13.6 (2.1) |
| Completeness (%) | 99.8 (99.9) |
| Redundancy | 4.5 (4.3) |
| Refinement | |
| Resolution (Å) | 41.9 – 1.25 |
| Reflections, work / free | 80064 / 4208 |
| Rwork / Rfree | 0.150 / 0.174 |
| Molecules in the asymmetric unit | 1 |
| Atoms | |
| - protein | 2151 |
| - ligands/ions | 1 HEPES / 8 CA2+ / 1 Cl- |
| - water | 515 |
| B-factors | |
| - protein | 19.4 |
| - ligands/ions | 24.7 / 24.9 / 20.9 |
| - water | 38.2 |
| rms deviations | |
| - bond lengths (A) | 0.009 |
| - bond angles (°) | 1.3 |
The values in parentheses are for the highest-resolution shell, 1.3 Å - 1.25 Å. One crystal was used for the data collection.