6ZRJ
Crystal structure of class D Beta-lactamase OXA-48 in complex with ertapenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-07-27 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.834, 162.839, 108.158 |
| Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
| Resolution | 48.510 - 1.940 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.480 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.510 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.082 | 0.542 |
| Rmeas | 0.099 | 0.667 |
| Rpim | 0.055 | 0.385 |
| Number of reflections | 157924 | 22664 |
| <I/σ(I)> | 10.5 | 2.1 |
| Completeness [%] | 97.2 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.996 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 10% PEG 4000, 5-8% 1-butanol, and 100mM HEPES pH 7.5 |
