Table 1. Data-collection and processing statistics.
No. of images | 360 |
Oscillation angle (°) | 0.5 |
Wavelength (Å) | 1.5418 |
Resolution (Å) | 50.00–2.44 (2.50–2.44) |
Space group | I432 |
Unit-cell parameters (Å, °) | a = b = c = 123.4, α = β = γ = 90 |
Rmerge† (%) | 8.9 (45.6) |
Average I/σ(I) | 16.4 (2.4) |
Completeness (%) | 98.8 (91.2) |
Redundancy | 12.4 (2.3) |
No. of observed reflections | 73760 |
No. of unique reflections | 5952 |
Matthews coefficient (Å3 Da−1) | 3.26 |
Solvent content (%) | 62.34 |
Molecules per asymmetric unit | 1 |
R merge = , where I i(hkl) is an individual intensity measurement and 〈I(hkl)〉 is the average intensity for all i reflections.