Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | BL44XL, SPring-8 |
| Wavelength () | 0.90 |
| Temperature (K) | 100 |
| Detector | PX210 detector (Rayonix, USA) |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image () | 0.5 |
| Total rotation range () | 180 |
| Exposure time per image (s) | 5 |
| Space group | P21 |
| Unit-cell parameters (, ) | a = 56.2, b = 169.0, c = 234.8, = = 90, = 94.6 |
| Mosaicity () | 0.4871.183 |
| Resolution range () | 503.15 (3.203.15) |
| Total No. of reflections | 278686 |
| No. of unique reflections | 75125 |
| Completeness (%) | 99.9 (100) |
| Multiplicity | 3.7 (3.7) |
| I/(I) | 9.35 (2.67) |
| R r.i.m. † (%) | 15.5 (46.6) |
| Overall B factor from Wilson plot (2) | 34.797 |
†
The redundancy-independent merging R factor R r.i.m. was estimated by multiplying the linear R merge value by the factor [N/(N 1)]1/2, where N is the data multiplicity.