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 |
