Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | SSRF |
| Wavelength () | 0.9789 |
| Temperature (K) | 100 |
| Detector | ADSC Q315 |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image () | 1 |
| Total rotation range () | 180 |
| Exposure time per image (s) | 0.5 |
| Space group | P3121 or P3221 |
| a, b, c () | 67.8, 67.8, 174.5 |
| , , () | 90, 90, 120 |
| Mosaicity () | 0.4 |
| Resolution range () | 50.002.25 (2.332.25) |
| Total No. of reflections | 218734 (21893) |
| No. of unique reflections | 22847 (2234) |
| Completeness (%) | 100.0 (100.0) |
| Multiplicity | 9.6 (9.8) |
| I/(I) | 22.1 (5.8) |
| R merge † (%) | 9.0 (43.3) |
†
R
merge = 
, where Ii(hkl) is the intensity of an individual measurement of a reflection and I(hkl) is the mean value for all equivalent measurements of this reflection.