5OE0
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
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 | 2015-05-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 62 |
| Unit cell lengths | 143.927, 143.927, 53.542 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.982 - 2.050 |
| R-factor | 0.203524764137 |
| Rwork | 0.202 |
| R-free | 0.24202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dtk |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.537 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.982 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmeas | 0.085 | 0.869 |
| Number of reflections | 40027 | 3911 |
| <I/σ(I)> | 13.19 | 2.27 |
| Completeness [%] | 99.5 | 99.21 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M Tris pH 7.0, 0.2M Ammonium sulfate 20.5 % PEG MME 5000 |
