Table 1. Data-collection and processing statistics.
No. of crystals | 1 |
Beamline | X6A |
Wavelength (Å) | 0.95370 |
Detector | ADSC Q270 CCD [270 × 270 mm] |
Crystal-to-detector distance (mm) | 150 |
Rotation range per image (°) | 0.5 |
Total rotation range (°) | 245 |
Exposure time per image (s) | 45 |
Resolution range (Å) | 30–1.65 |
Space group | P212121 |
Unit-cell parameters (Å) | a = 28.1, b = 60.7, c = 104.8 |
Mosaicity (°) | 1.6 |
Total No. of measured intensities | 22132 |
Unique reflections | 796328 |
Multiplicity | 9.8 |
Mean I/σ(I) | 33.0 (2.6) |
Completeness (%) | 99.7 (99.6) |
Rmerge (%)† | 6.8 |
Rmeas or Rr.i.m. (%) | 20.7 |
R merge = , where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl (Diederichs & Karplus, 1997 ▶).