Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | 5C (SB II), PAL |
| Wavelength () | 0.97760 |
| Temperature (K) | 110 |
| Detector | ADSC Quantum 315r |
| Crystal-to-detector distance (mm) | 250 |
| Rotation range per image () | 1 |
| Total rotation range () | 180 |
| Exposure time per image (s) | 1 |
| Space group | P61 or P65 |
| a, b, c () | 98.28, 98.28, 51.86 |
| , , () | 90, 90, 120 |
| Mosaicity () | 0.5 |
| Resolution range () | 502.1 (2.152.10) |
| Total No. of reflections | 171665 |
| No. of unique reflections | 16721 |
| Completeness (%) | 99.1 (100) |
| Multiplicity | 10.3 (8.2) |
| I/(I) | 63.94 (5.4) |
| R r.i.m † (%) | 2.7 (24.2) |
†
Estimated by multiplying the conventional R merge value by the factor [N/(N 1)]1/2, where N is the data multiplicity.