5ODZ
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163
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 | 2017-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 121.920, 121.920, 160.426 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.486 - 2.070 |
| R-factor | 0.1473 |
| Rwork | 0.145 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4s2l |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.490 | 2.144 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.154 | 0.856 |
| Rmeas | 0.161 | |
| Number of reflections | 43401 | 4244 |
| <I/σ(I)> | 12.66 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 0.1 M Tris pH 9.0 28 % PEG500 |
