TABLE 1.
Data collection and refinement statistics
| Parameter | Value |
|---|---|
| Temperature (K) | 100 |
| Space group | P212121 |
| Unit cell parameters (Å) | |
| a | 66.7 |
| b | 94.8 |
| c | 176.7 |
| Resolution range (Å) | 20.0-2.4 |
| No. of unique reflections | 41,963 |
| Completeness (outer shell) (%) | 94.0 (73.4) |
| I/σ(I) (outer shell) | 9.9 (2.2) |
| Rmerge for all data (outer shell) (%) | 18.2 (32.7) |
| R-factor/Rfree | 23.0 (27.2) |
| rms deviations from ideal geometry | |
| Bond length (Å) | 0.007 |
| Bond angle (°) | 1.38 |
| Average temperature factors (Å2) | |
| Main chain atoms | 29.3 |
| Side chain atoms | 30.6 |
| Water molecules | 31.4 |