Table 1. Data-collection and processing statistics.
No. of crystals | 1 |
Beamline | Photon Factory BL-17A |
Wavelength (Å) | 0.980 |
Detector | ADSC Quantum 270 |
Crystal-to-detector distance (mm) | 279.6 |
Rotation range per image (°) | 0.5 |
Total rotation range (°) | 130 |
Exposure time per image (s) | 5 |
Resolution range (Å) | 50–2.4 (2.44–2.40) |
Space group | P6122 |
Unit-cell parameters (Å) | a = b = 126.4, c = 290.3 |
Mosaicity (°) | 0.251 |
Total No. of measured intensities | 678636 |
Unique reflections | 54346 (2670) |
Multiplicity | 12.5 (10.2) |
Mean I/σ(I) | 15.9 |
Completeness (%) | 99.6 (100.0) |
Rmerge† (%) | 5.5 (46.9) |
Rmeas or Rr.i.m. (%) | 5.8 (43.8) |
Overall B factor from Wilson plot (Å2) | 58.3 |
R merge = , where I i(hkl) is the ith intensity of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.