Table 1. Data-collection statistics.
Space group | P21212 |
Unit-cell parameters (Å, °) | a = 255.98, b = 77.09, c = 117.97, α = β = γ = 90 |
Matthews coefficient† (Å3 Da−1) | 3.67, 2.94, 2.45, 2.10 |
Solvent content† (%) | 66.48, 58.09, 49.71, 41.33 |
Temperature (K) | 100 |
Detector | R-AXIS IV++ |
Wavelength (Å) | 1.5418 |
Crystal-to-detector distance (mm) | 200 |
Resolution (Å) | 50.0–2.45 (2.54–2.45) |
Unique reflections | 86797 (8078) |
Multiplicity | 5.0 (4.6) |
〈I/σ(I)〉 | 13.3 (4.4) |
Completeness (%) | 99.1 (93.6) |
Rmerge‡ (%) | 10.5 (42.8) |
Overall B factor from Wilson plot (Å2) | 43.93 |
Values are given for four, five, six and seven molecules in the crystal asymmetric unit, respectively.
R merge(I) = . 〈I(hkl)〉 is the average intensity of the i observations of reflection hkl.