6NS5
Crystal structure of fungal lipoxygenase from Fusarium graminearum. Second C2 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 | C 1 2 1 |
| Unit cell lengths | 123.365, 113.671, 99.437 |
| Unit cell angles | 90.00, 90.25, 90.00 |
Refinement procedure
| Resolution | 64.080 - 2.790 |
| R-factor | 0.1768 |
| Rwork | 0.175 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rde |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.528 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.590 | 2.940 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rpim | 0.076 | 0.428 |
| Number of reflections | 33864 | 4463 |
| <I/σ(I)> | 8.6 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.6 |
| CC(1/2) | 0.992 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 295 | 22% PEG3350, 0.3 M ammonium acetate, 0.1 M Tris |
