8AUM
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
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 | 49.380, 92.100, 89.960 |
| Unit cell angles | 90.00, 99.11, 90.00 |
Refinement procedure
| Resolution | 45.920 - 1.350 |
| R-factor | 0.1647 |
| Rwork | 0.165 |
| R-free | 0.18360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hgs |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.828 |
| 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] | 45.920 | 1.398 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 317534 | 15988 |
| <I/σ(I)> | 16.19 | |
| Completeness [%] | 95.1 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.999 | 0.967 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 100 mM (Sodium HEPES; MOPS (acid)) pH 7.5; 30 mM Sodium nitrate; 30 mM Sodium phosphate dibasic; 30 mM Ammonium sulphate; 20% v/v Glycerol; 10% w/v PEG 4000 |
