Table 3. Data collection and processing.
Diffraction source | ALS beamline 5.0.2 |
Wavelength (Å) | 1.00000 |
Temperature (K) | 100 |
Detector | PILATUS3 6M 25 Hz |
Crystal-to-detector distance (mm) | 250 |
Rotation range per image (°) | 0.25 |
Total rotation range (°) | 180 |
Exposure time per image (s) | 0.25 |
Space group | P21 |
a, b, c (Å) | 87.069, 82.465, 49.276 |
α, β, γ (°) | 90.00, 102.87, 90.00 |
Mosaicity (°) | 0.286 |
Resolution range (Å) | 59.15–1.52 (1.54–1.52) |
Total No. of reflections | 328718 (15697) |
No. of unique reflections | 104120 (4997) |
Completeness (%) | 99.6 (95.7) |
Multiplicity | 3.2 (3.1) |
〈I/σ(I)〉 | 4.4 (1.7) |
R r.i.m. | 0.100 (0.799) |
R p.i.m. | 0.069 (0.550) |
CC1/2 | 0.994 (0.578) |
Overall B factor from Wilson plot (Å2) | 14.2 |