9H12
Crystal structure of OXA-48 in complex with nacubactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 121.759, 121.759, 159.842 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.880 - 1.510 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.19240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.837 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.880 | 1.560 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rpim | 0.047 | 0.956 |
| Number of reflections | 109282 | 10755 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 39.5 | 33.5 |
| CC(1/2) | 0.999 | 0.327 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 283 | 0.1 M Tris pH 8.8, 50% PEG 400 |
