Table 3. Data collection and processing.
Diffraction source | Beamline 12-2, SSRL |
Wavelength (Å) | 0.97946 |
Temperature (K) | 100 |
Detector | PILATUS 6M, Dectris |
Crystal-to-detector distance (mm) | 520.5 |
Rotation range per image (°) | 0.15 |
Total rotation range (°) | 200 |
Exposure time per image (s) | 1 |
Space group | P212121 |
a, b, c (Å) | 75.1, 76.5, 128.3 |
α, β, γ (°) | 90, 90, 90 |
Mosaicity (°) | 0.1 |
Resolution range (Å) | 38.27–2.90 (3.08–2.90) |
Total No. of reflections | 124116 (19788) |
No. of unique reflections | 16949 (2677) |
Completeness (%) | 99.6 (99.5) |
Multiplicity | 7.3 (7.4) |
〈I/σ(I)〉 | 10.6 (2.2) |
R meas | 0.215 (2.86) |
CC1/2 | 0.965 (0.423) |
Overall B factor from Wilson plot (Å2) | 72 |