6ZRP
Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem
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 | 46.994, 125.286, 105.199 |
| Unit cell angles | 90.00, 77.70, 90.00 |
Refinement procedure
| Resolution | 45.920 - 1.740 |
| R-factor | 0.1585 |
| Rwork | 0.157 |
| R-free | 0.18680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hbr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.721 |
| 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] | 45.920 | 1.830 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.054 | 0.453 |
| Rmeas | 0.065 | 0.557 |
| Rpim | 0.036 | 0.320 |
| Number of reflections | 121354 | 17556 |
| <I/σ(I)> | 12.2 | 2.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.998 | 0.862 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 10% PEG 4000, 5-8% 1-butanol, and 100 mM HEPES pH 7.5 |
