9H17
Crystal structure of OXA-405 in complex with avibactam
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-29 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 122.302, 122.302, 160.175 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.130 - 1.460 |
| R-factor | 0.1741 |
| Rwork | 0.174 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.810 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.130 | 1.490 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rpim | 0.030 | 0.818 |
| Number of reflections | 122147 | 6005 |
| <I/σ(I)> | 12 | 0.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 41.8 | |
| CC(1/2) | 0.999 | 0.286 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.1 M Tris pH 8.5, 28% PEG 550 |
