9H18
Crystal structure of OXA-405 in complex with nacubactam
This is a non-PDB format compatible entry.
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 | 2024-02-03 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 123.692, 123.692, 159.347 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.660 - 1.330 |
| R-factor | 0.1835 |
| Rwork | 0.183 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.814 |
| 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] | 57.660 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rpim | 0.027 | 1.319 |
| Number of reflections | 163547 | 7912 |
| <I/σ(I)> | 8.9 | 0.1 |
| Completeness [%] | 100.0 | 98.1 |
| Redundancy | 39.9 | 40.5 |
| CC(1/2) | 0.999 | 0.297 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 283 | 0.1 M Tris pH 9.0, 20% PEG 400 |
