TABLE 8.
Data collection and refinement statistics for ETX2514 complex with OXA-24/40
| Data collection | OXA-24/40 + ETX2514 |
|---|---|
| Wavelength (Å) | 0.97946 |
| Data range (outer shell) (Å) | 1.95–37.3 (1.95–2.0) |
| Space group | P41212 |
| Cell dimensions (Å) | 102.6 102.6 87.0 90° 90° 90° |
| Completeness (outer shell) (%) | 99.6 (99.3) |
| Unique reflections (outer shell) | 34,248 (2,350) |
| Total no. of observations (outer shell) | 226,430 |
| Average multiplicity (outer shell) | 6.6 (6.5) |
| Mean I/sd(I) (outer shell) | 11.3 (2.4) |
| Rmerge (%) | 10.5 (79.1) |
| Refinement | |
| Resolution (Å) | 1.95–37.3 |
| Rwork | 0.187 |
| Rfree | 0.210 |
| No. of molecules (a.s.u.) | 1 |
| Ligands | 1 ETX2514, 1 Cl |
| No. of water molecules | 192 |
| RMSD bond length (Å) | 0.012 |
| RMSD bond angles (°) | 1.51 |