6NS3
Crystal structure of fungal lipoxygenase from Fusarium graminearum. I222 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 | 2017-01-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.38079 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.931, 95.537, 186.249 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.810 - 2.840 |
| R-factor | 0.23524 |
| Rwork | 0.234 |
| R-free | 0.27240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rde |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.206 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.920 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Rpim | 0.062 | 0.300 |
| Number of reflections | 19682 | 1550 |
| <I/σ(I)> | 12.2 | 2.2 |
| Completeness [%] | 97.5 | 78.7 |
| Redundancy | 7 | 5.2 |
| CC(1/2) | 0.972 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 11% PEG3350, 0.35 M calcium chloride, 0.1 M Tris |
