Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | ID30B, ESRF |
| Wavelength (Å) | 0.976 |
| Temperature (K) | 100 |
| Detector | Pilatus 6M |
| Crystal-to-detector distance (mm) | 190.0 |
| Rotation range per image (°) | 0.05 |
| Total rotation range (°) | 360 |
| Exposure time per image (s) | 0.037 |
| Space group | P212121 |
| a, b, c (Å) | 56.3, 60.3, 65.5 |
| Mosaicity (°) | 0.2 |
| Resolution range (Å) | 44.4–1.25 |
| Total No. of reflections | 753246 (48408) |
| No. of unique reflections | 119131 (8220) |
| Completeness (%) | 99.8 (98.9) |
| Multiplicity | 6.3 (5.5) |
| 〈I/σ(I)〉† | 18.49 (1.49) |
| CC1/2 (%) | 99.9 (54.0) |
| R meas (%) | 0.047 (1.166) |
| Overall B factor from Wilson plot (Å2) | 22.76 |
†
Mean I/σ(I) falls below 2.0 at 1.28 Å resolution. The data were cut with the aim of a CC1/2 value of 50%.