TABLE 1.
Data collection and refinement statistics
| Data | Value |
|---|---|
| Crystal data | |
| Space group | P212121 |
| Cell dimensions (Å) | a = 35.66, b = 73.42, c = 91.32 |
| Data set | |
| Highest resolution (Å) | 2.13 |
| Total no. of reflections | 49,318 |
| No. of unique reflections | 11,576 |
| Completeness (%) | |
| All data | 86.89 |
| Highest shell (Å) | 52.98 (2.185-2.129) |
| I/σ (I) overall | 7.86 |
| R sym (I) (%) | 8.0 |
| Refinement | |
| Resolution (Å) | 28.8-2.13 |
| R factor (%) | 16.6 |
| R free (%) (using 5% of reflections) | 22.3 |
| R.m.s. deviations from ideality | |
| Bond length (Å) | 0.02 |
| Bond angles (°) | 1.9 |
| Average B factor (Å2) | 19.0 |