Table 3. Data collection and processing.
Data | Native | Br (peak) |
---|---|---|
Diffraction source | BL19U1, SSRF | BL19U1, SSRF |
Wavelength (Å) | 0.9793 | 0.9190 |
Temperature (K) | 100 | 100 |
Detector | PILATUS3 6M | PILATUS3 6M |
Crystal-to-detector distance (mm) | 350 | 400 |
Rotation range per image (°) | 1 | 1 |
Total rotation range (°) | 180 | 1800 |
Exposure time per image (s) | 0.3 | 0.15 |
Space group | C2221 | C2221 |
a, b, c (Å) | 77.5, 119.8, 97.4 | 79.3, 119.2, 97.6 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Mosaicity (°) | 0.4 | 0.6 |
Resolution range (Å) | 40–2.1 (2.18–2.10) | 30–2.6 (2.69–2.60) |
Total No. of reflections | 173489 | 937292 |
No. of unique reflections | 26899 (2620) | 14601 (1437) |
Completeness (%) | 100 (99.7) | 100 (100) |
Multiplicity | 6.4 (5.8) | 64.2 (58.5) |
〈I/σ(I)〉 | 11.7 (1.6) | 25.0 (6.0) |
CC1/2 | 0.98 (0.73) | 0.99 (0.98) |
R r.i.m. | 0.15 (0.92) | 0.18 (0.71) |
R p.i.m. | 0.06 (0.38) | 0.02 (0.10) |
Overall B factor from Wilson plot (Å2) | 27.74 | 29.32 |