Table 3. Data collection and processing.
Diffraction source | BL19U1, SSRF |
Wavelength (Å) | 0.97776 |
Temperature (K) | 100 |
Detector | PILATUS3 6M |
Crystal-to-detector distance (mm) | 400.00 |
Rotation range per image (°) | 0.5 |
Total rotation range (°) | 360 |
Exposure time per image (s) | 0.5 |
Space group | P6122 |
a, b, c (Å) | 70.1, 70.1, 369.0 |
α, β, γ (°) | 90, 90, 120 |
Mosaicity (°) | 0.3 |
Resolution range (Å) | 50.00–2.20 (2.24–2.20) |
Total No. of reflections | 621073 |
No. of unique reflections | 27394 (2318) |
Completeness (%) | 99.7 (97.9) |
Multiplicity | 21.4 (16.0) |
〈I/σ(I)〉 | 20.3 (3.3) |
CC1/2 | 0.999 (0.949) |
R r.i.m. | 0.034 (0.215) |
Overall B factor from Wilson plot (Å2) | 35 |