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 |