Table 1. Diffraction data statistics.
Values in parentheses are for the highest resolution shell.
| X-ray source | Rigaku MicroMax-007 HF |
| Detector | R-AXIS IV++ |
| Wavelength (Å) | 1.5418 |
| Temperature (K) | 130 |
| Sample-to-detector distance (mm) | 300 |
| Rotation per image (°) | 1 |
| Total rotation (°) | 180 |
| Exposure time (s) | 120 |
| No. of crystals | 1 |
| Space group | P212121 |
| Unit-cell parameters (Å) | a = 95.51, b = 104.60, c = 105.40 |
| Resolution range (Å) | 25–3.5 (3.69–3.50) |
| Wilson B factor (Å2) | 37 |
| Mosaicity (°) | 0.22 |
| Total No. of measurements | 98832 (14470) |
| No. of unique reflections | 13826 (1977) |
| Multiplicity | 7.1 (7.3) |
| Completeness (%) | 100 (100) |
| Rmerge† | 0.173 (0.338) |
†
R
merge = 
, where Ii(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity obtained from multiple observations of symmetry-related reflections after rejections.