Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline 5C, PLS |
| Wavelength () | 0.9796 |
| Temperature (K) | 100 |
| Detector | ADSC Q315r |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image () | 1 |
| Total rotation range () | 360 |
| Exposure time per image (s) | 3 |
| Space group | P1 |
| Unit-cell parameters (, ) | a = 67.219, b = 96.587, c = 97.581, = 87.597, = 86.072, = 77.327 |
| Mosaicity () | 0.4 |
| Resolution range () | 50.02.0 (2.032.00) |
| Total No. of reflections | 343072 |
| No. of unique reflections | 136981 |
| Completeness (%) | 84.7 (63.2) |
| Multiplicity | 2.5 (2.0) |
| I/(I) | 18.9 (2.6) |
| R r.i.m. † (%) | 8.3 (39.2) |
| Overall B factor from Wilson plot (2) | 44.6 |
†
As this value was not available, it was estimated by multiplying the R merge value by the factor [N/(N 1)]1/2, where N is the data redundancy.