8AUL
OPR3 Y190F in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033190 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.370, 93.950, 89.510 |
Unit cell angles | 90.00, 97.40, 90.00 |
Refinement procedure
Resolution | 41.520 - 1.500 |
R-factor | 0.1579 |
Rwork | 0.158 |
R-free | 0.18020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hgs |
RMSD bond length | 0.005 |
RMSD bond angle | 0.827 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.520 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 225197 | 12353 |
<I/σ(I)> | 11.12 | |
Completeness [%] | 97.9 | |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 100 mM (Imidazole; MES monohydrate (acid)) pH 6.5; 30 mM Magnesium chloride hexahydrate; 30 mM Calcium chloride dihydrate; 20% v/v Glycerol; 10% w/v PEG 4000 |