5IR4
Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX with space group C2221 at 1.48 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 | C 2 2 21 |
| Unit cell lengths | 83.744, 97.391, 153.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.970 - 1.480 |
| R-factor | 0.13677 |
| Rwork | 0.136 |
| R-free | 0.15514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g33 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.230 |
| 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] | 48.970 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.076 | 0.774 |
| Number of reflections | 104548 | |
| <I/σ(I)> | 14.5 | 2 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 293 | 12 % PEG 3350, 0.2 M MgCl2, 0.1 M TRIS pH 7.1 |
