2R59
Leukotriene A4 hydrolase complexed with inhibitor RB3041
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 | 2005-10-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.210, 87.230, 99.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.850 - 1.890 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.22700 |
Starting model (for MR) | 1h19 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.717 |
Data reduction software | XFIT |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.515 | 2.000 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.078 | 0.260 |
Total number of observations | 42392 | |
Number of reflections | 53141 | |
<I/σ(I)> | 6.2 | 2.7 |
Completeness [%] | 97.5 | 94.9 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 298 | Co-crystallized with LTA4H by liquid-liquid diffusion in melting-point capillaries. A Tris-buffered (10 mM, pH 7.5) solution of protein and inhibitor in approximately equimolar concentrations (~70 microM) was layered on the precipitate solution containing 28% (weight/volume) polyethylene glycol (Mw 8000), 50 mM Na acetate, 100 mM imidazole, pH 6.8, and 5 mM YbCl3, LIQUID DIFFUSION, temperature 298K |