5OE2
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.164, 108.720, 83.677 |
| Unit cell angles | 90.00, 102.39, 90.00 |
Refinement procedure
| Resolution | 45.262 - 2.200 |
| R-factor | 0.1917 |
| Rwork | 0.191 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.855 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.262 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.095 | 0.387 |
| Number of reflections | 56510 | 5674 |
| <I/σ(I)> | 11.15 | 3.63 |
| Completeness [%] | 99.3 | 99.95 |
| Redundancy | 3.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M HEPES pH 7.0 10% PEG 6000 |
