6NS6
Crystal structure of fungal lipoxygenase from Fusarium graminearum. P21 crystal form.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.007, 94.769, 105.076 |
| Unit cell angles | 90.00, 106.16, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.300 |
| R-factor | 0.19536 |
| Rwork | 0.194 |
| R-free | 0.24118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rde |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.182 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.560 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rpim | 0.057 | 0.425 |
| Number of reflections | 20760 | 4232 |
| <I/σ(I)> | 9.7 | 1.9 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3 | 2.9 |
| CC(1/2) | 0.763 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.46 | 295 | 22% PEG3350, 0.3 M ammonium acetate, 0.1 M Tris |
