Table 2. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline BL13B1, NSRRC |
| Wavelength (Å) | 1.0 |
| Temperature (K) | 100 |
| Detector | MX300HE |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image (°) | 0.4 |
| Total rotation range (°) | 120 |
| Exposure time per image (s) | 15 |
| Space group | P212121 |
| a, b, c (Å) | 85.64, 106.11, 145.55 |
| α, β, γ (°) | 90, 90, 90 |
| Mosaicity (°) | 0.42–0.49 |
| Resolution range (Å) | 25.0–2.15 (2.23–2.15) |
| Total No. of reflections | 339445 (34740) |
| No. of unique reflections | 70570 (6948) |
| Completeness (%) | 99.9 (99.8) |
| 〈I/σ(I)〉 | 20.7 (5.3) |
| R merge † (%) | 9.2 (37.7) |
| Overall B factor from Wilson plot (Å2) | 35.5 |
R
merge =
.