Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Wavelength () | 0.97876 |
| Temperature (K) | 100 |
| Detector | ADSC Quantum 315 CCD |
| Crystal-to-detector distance (mm) | 350 |
| Rotation range per image () | 1.0 |
| Total rotation range () | 240 |
| Exposure time per image (s) | 1.0 |
| Space group | R32:H |
| a, b, c () | 96.69, 96.69, 164.34 |
| , , () | 90.0, 90.0, 120.0 |
| Mosaicity () | 0.77 |
| Resolution range () | 50.02.6 (2.642.60) |
| Total No. of reflections | 50064 |
| No. of unique reflections | 8340 (363) |
| Completeness (%) | 99.7 (100.0) |
| Multiplicity | 5.4 (5.5) |
| I/(I) | 13.58 (4.9) |
| R merge | 0.075 (0.534) |
| Overall B factor from Wilson plot (2) | 35.05 |