3CHP
Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-06-03 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.007 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.767, 133.572, 83.629 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.850 - 2.100 |
Rwork | 0.232 |
R-free | 0.27800 |
Structure solution method | OTHER |
RMSD bond length | 0.007 |
RMSD bond angle | 0.800 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNX |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.090 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 45016 | |
<I/σ(I)> | 11 | 2.4 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 8 | 298 | PEG 8000, SODIUM ACETATE, IMIDEAZOLE PH 6.8, YBCL2, BESTATIN, LIQUID DIFFUSION, TEMPERATURE 298K, pH 8.00 |