Table 1 Data collection and refinement statistics.
Sso Urm1 | |
|---|---|
Data collection | |
Space group | P 21 21 21 |
Cell dimensions | |
a, b, c (Å) | 31.49 65.19 109.36 |
α, β, γ (°) | 90 90 90 |
Wavelength (Å) | 1.5418 |
Resolution (Å) | 28−2.20 (2.30−2.20)* |
Rsym or Rmerge | 0.0642 (0.3046) |
I/σI | 27.26 (6.05) |
Completeness (%) | 99.8 (99.3) |
Redundancy | 12.71 (8.55) |
Wilson B factor | 25.60 |
Refinement | |
No. reflections | 12.034 |
Rwork/Rfree | 0.1933/0.2278 |
No. atoms | |
Protein | 1,330 |
Ligand/ion | 5 |
Water | 89 |
B-factors | |
Protein | 38.80 |
Ligand/ion | 92.70 |
Water | 39.40 |
R.m.s. deviations | |
Bond lengths (Å) | 0.003 |
Bond angles (°) | 0.66 |
Ramachandran favoured (%) | 98.7 |
Ramachandran outliers (%) | 0.0 |
MolProbity Clashscore | 0.36 |