2G5W
X-ray crystal structure of Arabidopsis thaliana 12-oxophytodienoate reductase isoform 3 (AtOPR3) in complex with 8-iso prostaglandin A1 and its cofactor, flavin mononucleotide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.98244 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.702, 86.608, 123.583 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.834 - 2.576 |
R-factor | 0.20512 |
Rwork | 0.202 |
R-free | 0.26430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q45 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.977 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.670 |
High resolution limit [Å] | 2.580 | 5.560 | 2.580 |
Rmerge | 0.157 | 0.095 | 0.366 |
Number of reflections | 22750 | ||
<I/σ(I)> | 9.549 | 3.423 | |
Completeness [%] | 82.0 | 100 | 50 |
Redundancy | 6.1 | 6.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.10 M SODIUM CHLORIDE, 0.0003 M TECP, 0.010 M MES, pH 6.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (8.75-10.0% MEPEG 5000, 0.275-0.350 M GLYCINE, 0.10 M TRIETHANOLAMINE pH 8.0), vapor diffusion, hanging drop, temperature 293K |