3DY5
Allene oxide synthase 8R-lipoxygenase from Plexaura homomalla
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 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.38000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 235.520, 77.493, 157.966 |
| Unit cell angles | 90.00, 112.45, 90.00 |
Refinement procedure
| Resolution | 20.860 - 3.510 |
| R-factor | 0.27513 |
| Rwork | 0.273 |
| R-free | 0.32191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 2FNQ 1u5u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.234 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.200 | 3.630 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.135 | 0.364 |
| Number of reflections | 32748 | |
| <I/σ(I)> | 1.84 | |
| Completeness [%] | 98.2 | 86.8 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | The drops were prepared with 2:1:1 mixtures of protein (5 mg/mL in 4 mM CaCl2), detergent (1.8 mM Triton X-100), and precipitant (16% PEG 3350, 4% Tacsimate pH 6.0), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
