3CHR
Crystal structure of leukotriene A4 hydrolase in complex with 4-amino-N-[4-(phenylmethoxy)phenyl]-butanamide
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 | 2003-02-21 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.091 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.346, 133.210, 83.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.620 - 2.200 |
R-factor | 0.20948 |
Rwork | 0.207 |
R-free | 0.26694 |
Structure solution method | OTHER |
RMSD bond length | 0.015 |
RMSD bond angle | 1.405 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.680 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 38521 | |
<I/σ(I)> | 6.9 | 2 |
Completeness [%] | 99.6 | 100 |
Redundancy | 4.1 | 3.9 |
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 |