Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | BL44XU, SPring-8 |
| Wavelength (Å) | 0.90000 |
| Temperature (K) | 100 |
| Detector | MX300-HE, Rayonix |
| Beam size (µm) | 70.0 × 70.0 [h × w] |
| Attenuator | 0.6 mm Al |
| Crystal-to-detector distance (mm) | 307 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 62 |
| Exposure time per image (s) | 1 |
| Space group | P61 |
| a, b, c (Å) | 68.7, 68.7, 94.2 |
| α, β, γ (°) | 90, 90, 120 |
| Mosaicity (°) | 0.24 |
| Resolution range (Å) | 50.0–2.50 (2.54–2.50) |
| Total no. of reflections | 32454 |
| No. of unique reflections | 8741 |
| Completeness (%) | 99.2 (99.8) |
| Multiplicity | 3.7 (3.9) |
| 〈I/σ(I)〉 | 13.4 (6.1) |
| R r.i.m. (%) | 14.5 (27.9) |
| CC1/2/CC*† | (0.953)/(0.988) |
| Overall B factor from Wilson plot (Å2) | 24.4 |
†
CC1/2 and CC* are the Pearson correlation coefficient of two half data sets and an estimate of the true CC value, respectively. CC* is calculated using the following equation: CC* = [2CC1/2/(1 + CC1/2)]1/2.