5IR5
Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX with space group P21212 at 1.9 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.972 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 133.093, 116.353, 42.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.800 - 1.900 |
| R-factor | 0.14593 |
| Rwork | 0.144 |
| R-free | 0.18195 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g32 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.224 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.800 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.065 | 0.471 |
| Number of reflections | 53115 | |
| <I/σ(I)> | 13.1 | 2.8 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10 % PEG 3350, 50 mM MgCl2, 100 mM HEPES, pH 7.5 |
