Table 3. Data collection and processing.
Diffraction source | BL18U, SSRF |
Wavelength (Å) | 0.979 |
Temperature (K) | 100 |
Detector | PILATUS 6M |
Crystal-to-detector distance (mm) | 300 |
Rotation range per image (°) | 1 |
Total rotation range (°) | 360 |
Exposure time per image (s) | 0.1 |
Space group | C2 |
a, b, c (Å) | 125.24, 59.37, 83.85 |
α, β, γ (°) | 90.00, 117.81, 90.00 |
Resolution range (Å) | 50.00–3.30 (3.42–3.30) |
Total No. of reflections | 55439 |
No. of unique reflections | 8479 |
Completeness (%) | 99.8 (99.8) |
Multiplicity | 6.5 (6.5) |
〈I/σ(I)〉 | 16.7 (3.4) |
R r.i.m. | 0.076 |