TABLE 3.
Data collection and refinement statistics
| Statistic | Value for OmpK37 (6V78) |
|---|---|
| Data collection | |
| Space group | P21212 |
| Cell dimension | |
| a, b, c (Å) | 109.52, 138.51, 91.70 |
| α, β, γ (°) | 90, 90, 90 |
| Resolution (Å) | 50–2.6 (2.7–2.6) |
| Rmeas | 19.3 (176.4) |
| I/σI | 11.11 (1.73) |
| Completeness (%) | 99.2 (98.8) |
| Redundancy | 7.4 (7.5) |
| CC1/2 | 99.7 (69.2) |
| Refinement | |
| Resolution (Å) | 49.3–2.6 |
| No. of reflections | 43,308 |
| Rwork/Rfree | 25.7/32.3 |
| No. of atoms | |
| Protein | 8,382 (trimer) |
| Water | 73 |
| B-factor | |
| Protein | 56.3 |
| Water | 47.2 |
| RMSa deviations | |
| Bond lengths (Å) | 0.008 |
| Bond angles (°) | 1.08 |
| Ramachandran statistics (%) | |
| Preferred | 95.9 |
| Allowed | 4.1 |
| Outliers | 0 |
a
RMS, root mean square.