Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline I911-3, MAX-lab |
| Wavelength () | 0.9199 |
| Temperature (K) | 110 |
| Detector | CCD |
| Crystal-to-detector distance (mm) | 217.88 |
| Rotation range per image () | 0.5 |
| Total rotation range () | 100 |
| Space group | P4322 |
| a, b, c () | 91.52, 91.52, 184.59 |
| , , () | 90, 90, 90 |
| Mosaicity () | 0.240 |
| Z | 6 |
| Resolution range () | 41.211.85 (1.901.85) |
| Total No. of reflections | 510190 (5674) |
| No. of unique reflections | 67728 (896) |
| Completeness (%) | 100.0 (99.8) |
| Multiplicity | 7.5 (5.6) |
| I/(I) | 12.200 (2.6) |
| R r.i.m. | 0.118 (0.6179) |
| R p.i.m. | 0.043 (0.306) |
| Overall B factor from Wilson plot (2) | 20.150 |