Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | ID23-2, ESRF |
| Wavelength () | 0.873 |
| Temperature (C) | 173 |
| Detector | Pilatus 2M |
| Crystal-to-detector distance (mm) | 384.5 |
| Rotation range per image () | 0.15 |
| Total rotation range () | 101.1 |
| Exposure time per image (s) | 0.10 |
| Space group | P212121 |
| a, b, c () | 81.8, 86.0, 269.9 |
| , , () | 90, 90, 90 |
| Resolution range () | 60.53.32 (3.333.32) |
| Total No. of reflections | 104532 (617) |
| No. of unique reflections | 28851 (264) |
| Completeness (%) | 99.5 (90.4) |
| Multiplicity | 3.6 (2.3) |
| I/(I) | 8.3 (2.00) |
| R merge | 0.15 (0.49) |
| R meas | 0.18 (0.61) |
| R p.i.m. | 0.09 (0.36) |
| CC1/2 | 0.98 (0.72) |
| Overall B factor from Wilson plot (2) | 60.46 |