Table 2. Crystal parameters and data-collection statistics for the crystal of c-hNO66.
No. of crystals | 1 |
Beamline | BL17U, SSRF |
Wavelength (Å) | 0.9999 |
Detector | ADSC Quantum 315r |
Crystal-to-detector distance (mm) | 200 |
Rotation range per image (°) | 0.5 |
Total rotation range (°) | 115 |
Exposure time per image (s) | 1.6 |
Resolution range (Å) | 50–2.29 (2.33–2.29) |
Space group | P31 or P32 |
Unit-cell parameters (Å, °) | a = 89.35, b = 89.35, c = 304.86, α = β = 90, γ = 120 |
Mosaicity (°) | 0.33 |
Total No. of measured intensities | 1602752 |
Unique reflections | 123682 |
Multiplicity | 3.3 (2.7) |
Average I/σ(I) | 11.0 (2.0) |
Completeness (%) | 98.9 (99.9) |
R merge † (%) | 10.8 (55.1) |
Overall B factor from Wilson plot (Å2) | 44.7 |
R merge = , where I i(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity of all observations i of reflection hkl.