Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | I04, Diamond Light Source |
| Wavelength () | 0.97949 |
| Temperature (K) | 100 |
| Detector | PILATUS 6M CCD |
| Crystal-to-detector distance (mm) | 385.01 |
| Rotation range per image () | 0.2 |
| Total rotation range () | 200 |
| Exposure time per image (s) | 0.2 |
| Space group | P1211 |
| a, b, c () | 50.96, 131.41, 123.40 |
| , , () | 90.0, 94.8, 90.0 |
| Mosaicity () | 0.16 |
| Resolution range () | 65.712.25 (2.312.25) |
| Total No. of reflections | 339889 |
| No. of unique reflections | 76055 |
| Completeness (%) | 99.2 (100.0) |
| Multiplicity | 4.5 (4.5) |
| I/(I) | 14.5 (2.2) |
| R meas (%) | 6.3 (79.0) |
| Overall B factor from Wilson plot (2) | 43.6 |