Table 1. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline 5.0.1, ALS |
| Wavelength (Å) | 0.9774 |
| Temperature (K) | 100.0 |
| Detector | ADSC Quantum 315r CCD |
| Crystal-to-detector distance (mm) | 250 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 150 |
| Exposure time per image (s) | 10 |
| Space group | P212121 |
| a, b, c (Å) | 79.96, 106.33, 136.25 |
| Mosaicity (°) | 0.86 |
| Resolution range (Å) | 50.00–2.10 (2.14–2.10) |
| Total No. of reflections | 417245 (20757) |
| No. of unique reflections | 68289 (3414) |
| Completeness (%) | 99.8 (100.0) |
| Multiplicity | 6.1 (6.1) |
| 〈I/σ(I)〉 | 18.3 (3.5) |
| R r.i.m. † | 0.098 (0.457) |
| Overall B factor from Wilson plot (Å2) | 29.0 |
†
Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.