6HB8
Crystal structure of OXA-517 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980104506016 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.800, 125.046, 82.656 |
| Unit cell angles | 90.00, 94.65, 90.00 |
Refinement procedure
| Resolution | 46.180 - 1.860 |
| R-factor | 0.17246 |
| Rwork | 0.170 |
| R-free | 0.21885 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2p |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.367 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.180 | 1.970 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmeas | 0.160 | 1.250 |
| Number of reflections | 84548 | 13554 |
| <I/σ(I)> | 6.8 | 1 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 3.7 | 3 |
| CC(1/2) | 0.990 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES pH 6.5 and 20% (w/v) PEG10000 |
