Table 3. Data collection and processing.
Diffraction source | Beamline I04, DLS |
Wavelength (Å) | 0.9795 |
Temperature (K) | 100 |
Detector | Pilatus 6M-F |
Rotation range per image (°) | 0.10 |
Total rotation range (°) | 180 |
Exposure time per image (s) | 0.040 |
Space group | P21 |
a, b, c (Å) | 48.04, 78.31, 67.71 |
α, β, γ (°) | 90, 99.94, 90 |
ISa | 12.0 |
Resolution range (Å) | 18.6–1.35 (1.39–1.35) |
Total No. of reflections | 357812 (26206) |
No. of unique reflections | 107545 (7947) |
Completeness (%) | 99.4 (99.6) |
Multiplicity | 3.3 (3.3) |
〈I/σ(I)〉† | 7.1 (1.3) |
R meas | 0.098 (0.970) |
Overall B factor from Wilson plot (Å2) | 15.2 |
Mean I/σ(I) < 2.0 at 1.45 Å.