Table 1. Data-collection and processing statistics.
No. of crystals | 1 |
Beamline | PROXIMA 1 (SOLEIL synchrotron) |
Wavelength (Å) | 0.979 |
Detector | ADSC Q315r |
Crystal-to-detector distance (mm) | 256.35 |
Rotation range per image (°) | 1 |
Total rotation range (°) | 90 |
Exposure time per image (s) | 1 |
Resolution range (Å) | 37.52–2.00 (2.11–2.00) |
Space group | C2221 |
Unit-cell parameters (Å, °) | a = 68.1, b = 184.6, c = 128.8, α = β = γ = 90.00 |
Mosaicity (°) | 0.097 |
Total no. of measured intensities | 273149 |
Unique reflections | 54947 (7963) |
Multiplicity | 3.7 (3.7) |
Mean I/σ(I) | 7.5 (3.2) |
Completeness (%) | 99.7 (100) |
Rmerge† | 0.114 (0.430) |
Rmeas | 0.136 (0.500) |
Overall B factor from Wilson plot (Å2) | 37.3 |
R merge = , where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations of reflection hkl.