6NS4
Crystal structure of fungal lipoxygenase from Fusarium graminearum. C2 crystal form.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CAMD BEAMLINE GCPCC |
| Synchrotron site | CAMD |
| Beamline | GCPCC |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.38079 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.963, 121.116, 102.122 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 35.400 - 2.400 |
| R-factor | 0.19098 |
| Rwork | 0.190 |
| R-free | 0.22087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rde |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.270 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rpim | 0.083 | 0.359 |
| Number of reflections | 55511 | 5447 |
| <I/σ(I)> | 9.6 | 1.7 |
| Completeness [%] | 99.7 | 97.8 |
| Redundancy | 3.7 | 3.3 |
| CC(1/2) | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.46 | 295 | 25% PEG3350, 0.3 M ammonium acetate, 0.1 M HEPES |
