Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Station I02, Diamond Light Source |
| Wavelength () | 0.9795 |
| Temperature (K) | 100 |
| Detector | PILATUS |
| Crystal-to-detector distance (mm) | 308.83 |
| Rotation range per image () | 0.25 |
| Total rotation range () | 240 |
| Exposure time per image (s) | 0.25 |
| Space group | C2221 |
| a, b, c () | 85.36, 115.63, 46.73 |
| , , () | 90, 90, 90 |
| Mosaicity () | 0.3 |
| Resolution range () | 28.081.55 (1.581.55) |
| Total No. of reflections | 258112 (7866) |
| No. of unique reflections | 33704 (1480) |
| Completeness (%) | 99.1 (89.8) |
| Multiplicity | 7.7 (5.3) |
| I/(I) | 12.3 (2.9) |
| R r.i.m. | 0.090 (0.616) |
| Overall B factor from Wilson plot (2) | 15.7 |