Table 2. Data-collection and processing statistics.
Diffraction source | Rigaku RU-200 rotating anode |
Wavelength (Å) | 1.5418 |
Temperature (K) | 293 |
Detector | 180 mm MAR Research image plate |
Crystal-to-detector distance (mm) | 120 |
Rotation range per image (°) | 1.5 |
Total rotation range (°) | 129 |
Exposure time per image (s) | 240 |
Space group | P43212 |
Unit-cell parameters (Å) | a = b = 37.16, c = 114.98 |
Mosaicity (°) | 0.48 |
Resolution range (Å) | 35.36–2.50 (2.64–2.50) |
Total No. of reflections | 15197 |
No. of unique reflections | 3127 |
Completeness (%) | 99.0 (100) |
Multiplicity | 4.9 (5.0) |
〈I/σ(I)〉 | 5.8 (3.1) |
R r.i.m. † | 0.111 (0.235) |
Overall B factor from Wilson plot (Å2) | 30.2 |
Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.