TABLE 1.
Data collection and refinement statistics for FakB2
| FakB2-oleate | |
|---|---|
| Data collection | |
| Space group | C2 |
| Cell dimensions | |
| a, b, c (Å) | 167.3, 41.9, 38.6 |
| β (°) | 94.5 |
| Resolution (Å) | 1.2 (1.24-1.2)a |
| Rsym | 0.06 (0.36) |
| I/σI | 27.4 (2.4) |
| Completeness (%) | 94.5 (77.0) |
| Redundancy | 4.0 (2.1) |
| Refinement | |
| Resolution (Å) | 1.2 |
| Total reflections | 315,167 |
| Unique reflections | 78,877 (6,196) |
| Rwork/Rfreeb | 0.118/0.144 |
| No. of atoms | |
| Protein | 2167 |
| Ligand/ion | 32 |
| Water | 285 |
| B-factors (Å2) | |
| Wilson | 9.4 |
| Protein | 13.0 |
| Ligand/ion | 13.3 |
| Water | 30.9 |
| Root mean square deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 1.2 |
| Ramachandran plot (%) | |
| Favored | 99 |
| Allowed | 1 |
| Outliers | 0 |
a Highest resolution shell is shown in parentheses.
b Rfree was calculated using a test set of 2000 reflections or 2.5% of unique reflections.