3IF6
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.92 |
Spacegroup name | H 3 2 |
Unit cell lengths | 123.838, 123.838, 327.915 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.400 - 2.400 |
R-factor | 0.21793 |
Rwork | 0.211 |
R-free | 0.28519 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hbr |
RMSD bond length | 0.016 |
RMSD bond angle | 1.607 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.500 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.065 | 0.610 |
Number of reflections | 48227 | |
<I/σ(I)> | 9.6 | 1.2 |
Completeness [%] | 98.7 | 98.7 |
Redundancy | 8.8 | 7.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1M Na,K L-tartrate tetrahydrate, 50mM Hepes, 2-4%(v/v) PEG 400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |