Table 1. Data-collection and refinement statistics for DmENO.
Data collection | |
Wavelength (Å) | 0.97915 |
Space group | R32 |
Unit-cell parameters (Å, °) | a = b = 118.82, c = 229.79, α = β = 90, γ = 90 |
Resolution (Å) | 93.9–2.02 (2.07–2.02) |
Total No. of reflections | 367938 (23567) |
No. of unique reflections | 41492 (3019) |
R merge | 0.189 (0.841) |
〈I/σ(I)〉 | 7.3 (2.2) |
Completeness (%) | 100.0 (100.0) |
Multiplicity | 8.9 (7.8) |
Wilson B factor (Å2) | 29.0 |
Refinement | |
Resolution (Å) | 38.33–2.02 (2.09–2.02) |
R work | 0.162 |
R free | 0.201 |
No. of atoms | |
Total | 3673 |
Protein | 3308 |
Ligand/ion | 32 |
Water | 333 |
R.m.s.d.s | |
Bond lengths (Å) | 0.017 |
Bond angles (°) | 0.830 |
Ramachandran plot | |
Favoured (%) | 97.25 |
Allowed (%) | 2.29 |
Outliers (%) | 0.46 |
Average B factors (Å2) | |
Overall | 40.99 |
Protein | 40.16 |
Ligand/ion | 55.40 |
Water | 47.82 |