8AUE
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
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 | 49.719, 89.026, 90.074 |
Unit cell angles | 90.00, 100.27, 90.00 |
Refinement procedure
Resolution | 46.480 - 1.820 |
R-factor | 0.1722 |
Rwork | 0.172 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hgs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.819 |
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] | 46.480 | 1.885 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 123419 | 12649 |
<I/σ(I)> | 6.25 | |
Completeness [%] | 90.4 | |
Redundancy | 1.6 | |
CC(1/2) | 0.993 | 0.677 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 100 mM amino acid mix (0.02M DL-Glutamic acid monohydrate; 0.02M DL-Alanine; 0.02M Glycine; 0.02M DL-Lysine monohydrochloride; 0.02M DL-Serine), 20% v/v Ethylene glycol; 10 % w/v PEG 8000, 100 mM Tris (base), BICINE pH 8.5 |