Table 1. Data collection and processing.
Values in parentheses are for the outer shell.
Diffraction source | I911-2, MAX-lab |
Wavelength (Å) | 1.03973 |
Temperature (K) | 100 |
Detector | MAR 165 CCD |
Crystal-to-detector distance (mm) | 150 |
Rotation range per image (°) | 1.0 |
Total rotation range (°) | 200 |
Exposure time per image (s) | 30 |
Space group | I4122 |
a, b, c (Å) | 200.2, 200.2, 106.8 |
α, β, γ (°) | 90, 90, 90 |
Mosaicity (°) | 0.33 |
Resolution range (Å) | 50.0–2.69 (2.76–2.69) |
Total No. of reflections | 475968 |
No. of unique reflections | 29998 |
Completeness (%) | 98.5 (94.3) |
Multiplicity | 15.9 (12.6) |
〈I/σ(I)〉 | 23.6 (5.7) |
R r.i.m. | 0.132 (0.595) |
Overall B factor from Wilson plot (Å2) | 52.38 |