Table 3. Data collection and processing.
Diffraction source | Beamline 7-1, SSRL |
Wavelength (Å) | 1.127 |
Temperature (K) | 100 |
Crystal-to-detector distance (mm) | 200 |
Rotation range per image (°) | 0.5 |
Total rotation range (°) | 180 |
Exposure time per image (s) | 5 |
Space group | P4322 |
a, b, c (Å) | 98.732, 98.732, 101.805 |
α, β, γ (°) | 90.00, 90.00, 90.00 |
Resolution range (Å) | 45.24–2.62 (2.74–2.62) |
No. of unique reflections | 15667 (1876) |
Completeness (%) | 100.00 (99.92) |
〈I/σ(I)〉 | 14.8 (1.7) |
R p.i.m. | 0.057 (0.598) |
R merge | 0.163 (1.685) |
Overall B factor from Wilson plot (Å2) | 50.00 |