Table 3. Data collection and processing.
Diffraction source | Rigaku FR-E+ SuperBright rotating anode |
Wavelength (Å) | 1.5418 |
Temperature (K) | 100 |
Detector | Rigaku Saturn 944+ CCD |
Space group | P21 |
a, b, c (Å) | 64.1, 119.9, 74.9 |
α, β, γ (°) | 90, 109.59, 90 |
Resolution range (Å) | 40.97–2.00 (2.05–2.00) |
No. of unique reflections | 71646 (7137) |
Completeness (%) | 99.5 (99.9) |
Multiplicity | 6.02 (3.99) |
〈I/σ(I)〉 | 19.3 (2.25) |
R r.i.m. | 0.053 (0.71) |
CC1/2 | 0.999 (0.785) |
Overall B factor from Wilson plot (Å2) | 43.6 |