8AWH
Leukotriene A4 hydrolase in complex with 4-(4-Benzylphenyl)-selenazol-2-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.022, 87.519, 99.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.130 - 1.420 |
R-factor | 0.1576 |
Rwork | 0.156 |
R-free | 0.18710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l2l |
RMSD bond length | 0.010 |
RMSD bond angle | 1.572 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.130 | 1.606 |
High resolution limit [Å] | 1.415 | 1.415 |
Rmerge | 0.199 | 1.917 |
Rmeas | 0.207 | 2.007 |
Rpim | 0.056 | 0.590 |
Number of reflections | 76734 | 3837 |
<I/σ(I)> | 11.3 | 1.838 |
Completeness [%] | 95.6 | |
Redundancy | 13.3 | |
CC(1/2) | 0.996 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 12% PEG 8000, 100 mM sodium acetate, 5 mM ytterbium chloride, 100 mM imidazole pH 6.8 |