Table 1. Data-collection statistics.
X-ray source | Pohang Light Source beamline BL-6C |
X-ray wavelength (Å) | 1.23985 |
Temperature (K) | 100 |
Space group | P212121 |
Unit-cell parameters (Å) | a = 73.96, b = 103.73, c = 114.71 |
Resolution range (Å) | 20–2.30 (2.34–2.30) |
Total/unique reflections | 280647/40051 |
Rmerge† (%) | 12.7 (45.9) |
Data completeness (%) | 100.0 (99.9) |
Multiplicity | 7.0 (6.5) |
Average I/σ(I) | 18.8 (3.8) |
R merge = , where I i(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the mean value of I i(hkl) for all i measurements.