9H14
Crystal structure of OXA-163 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 I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9500 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 122.600, 122.600, 160.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 64.030 - 1.560 |
| R-factor | 0.1647 |
| Rwork | 0.164 |
| R-free | 0.18430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.858 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.200 | 1.590 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rpim | 0.031 | 0.899 |
| Number of reflections | 101172 | 4960 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 38.7 | 39.1 |
| CC(1/2) | 0.999 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 292 | 0.1 M Tris pH 9.0, 32% PEG 550 |
