Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline BL14.1, BESSY II |
| Wavelength () | 0.91841 |
| Temperature (K) | 100 |
| Detector | PILATUS 6M |
| Crystal-to-detector distance (mm) | 345 |
| Rotation range per image () | 0.1 |
| Total rotation range () | 140 |
| Exposure time per image (s) | 15 |
| Space group | P21 |
| Unit-cell parameters (, ) | a = 74.64, b = 94.72, c = 117.40, = = 90, = 90.672 |
| Mosaicity () | 0.276 |
| Resolution range () | 50.02.0 (2.12.0) |
| Total No. of reflections | 411089 (57278) |
| No. of unique reflections | 110108 (14992) |
| Completeness (%) | 99.5 (99.9) |
| Multiplicity | 3.73 (3.82) |
| I/(I) | 9.09 (2.37) |
| R r.i.m. | 0.114 (0.669) |
| Overall B factor from Wilson plot (2) | 31.39 |