Table 3. Data collection and processing.
Diffraction source | Beamline BL18U1, NCPSS |
Wavelength (Å) | 0.9793 |
Temperature (K) | 100 |
Detector | PILATUS 6M |
Crystal-to-detector distance (mm) | 450 |
Rotation range per image (°) | 0.5 |
Total rotation range (°) | 360 |
Exposure time per image (s) | 0.2 |
Space group | P1211 |
a, b, c (Å) | 63.73, 87.13, 63.97 |
α, β, γ (°) | 90, 97.99, 90 |
Mosaicity (°) | 0.1–0.2 |
Resolution range (Å) | 100–1.49 (1.52–1.49) |
Total No. of reflections | 678848 (100843) |
No. of unique reflections | 57973 (2869) |
Completeness (%) | 99.9 (100.0) |
Multiplicity | 6.7 (6.8) |
〈I/σ(I)〉 | 20.2 (3.6) |
R p.i.m. (%) | 17.5 (60.4) |
Overall B factor from Wilson plot (Å2) | 19.5 |