6NS2
Crystal structure of fungal lipoxygenase from Fusarium graminearum. P212121 crystal form.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.7413 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.489, 95.060, 189.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.580 - 2.790 |
| R-factor | 0.20763 |
| Rwork | 0.205 |
| R-free | 0.24943 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rde |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.314 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.580 | 2.940 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rpim | 0.072 | 0.395 |
| Number of reflections | 40654 | 5781 |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 98.5 | 97.9 |
| Redundancy | 6.2 | 6.2 |
| CC(1/2) | 0.993 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 10% PEG3350, 0.05 M proline, 0.1 M imidazole acetate |
