8AUB
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-17 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.965459 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.794, 88.397, 89.921 |
Unit cell angles | 90.00, 99.90, 90.00 |
Refinement procedure
Resolution | 44.200 - 1.620 |
R-factor | 0.1924 |
Rwork | 0.192 |
R-free | 0.21450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hgs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.821 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.200 | 1.678 |
High resolution limit [Å] | 1.620 | 1.620 |
Number of reflections | 176405 | 18096 |
<I/σ(I)> | 5.06 | |
Completeness [%] | 91.6 | |
Redundancy | 1.6 | |
CC(1/2) | 0.987 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 100 mM CaCl2,10 % w/v PEG 8000, 100 mM Tris pH 8.5 |