Table 1.
Data-collection and refinement statistics.
| Data collection | |
|---|---|
| Wavelength (Å) | 1.0000 |
| Crystal-to-detector distance (mm) | 153 |
| Oscillation (°) | 0.5 |
| Temperature (K) | 100 |
| Space group | P212121 |
| Unit cell parameters | |
| a, b, c (Å) | 38.6, 44.9, 85.9 |
| Resolution (Å) | 31.0-1.45 (1.53-1.45)a |
| Total reflections | 98484 |
| Unique reflections | 25816 |
| Completeness (%) | 94.3 (73.7) |
| Multiplicity | 3.8 (2.5) |
| Rmerge (%) | 6.1 (52.4) |
| <I/σ(I)> | 14.0 (2.0) |
| Refinement | |
| No. of reflections, working set | 24814 |
| No. of reflections, test set | 1002 |
| No. of atoms (non H) | |
| protein | 1250 |
| solvent | 159 |
| Rwork/Rfree (%) | 16.7/19.0 |
| RMSD from ideal geometry | |
| bond lengths (Å) | 0.019 |
| Ramachandran statistics (%) | |
| most favored | 97.7 |
| allowed | 2.3 |
a
Values in parentheses correspond to the highest resolution shell.