4X56
Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0782 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 102.307, 102.307, 87.151 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.000 - 2.280 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.21295 |
| Starting model (for MR) | 3pae |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.847 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.307 | 2.285 |
| High resolution limit [Å] | 2.277 | 2.277 |
| Rmerge | 0.077 | 0.627 |
| Number of reflections | 20839 | |
| <I/σ(I)> | 21.9 | 3.5 |
| Completeness [%] | 95.6 | 97.2 |
| Redundancy | 8.4 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES sodium, 2% v/v polyethylene glycol 400, 2.0 M ammonium sulfate, pH 7.5 |
