3U9W
Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-26 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0408 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.078, 86.799, 99.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.370 - 1.250 |
R-factor | 0.1344 |
Rwork | 0.134 |
R-free | 0.16090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.975 |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.372 | 65.372 | 1.300 |
High resolution limit [Å] | 1.250 | 10.000 | 1.250 |
Rmerge | 0.055 | 0.021 | 0.370 |
Number of reflections | 184616 | 683 | 38802 |
<I/σ(I)> | 9.92 | 52.63 | 2.61 |
Completeness [%] | 98.1 | 97 | 96.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID-LIQUID DIFFUSION, CAPILLARIES | 6.8 | 298 | 28% PEG8000, 0.1 mM sodium acetate, 0.1 mM imidazole, 5 mM ytterbium(III) chloride, pH 6.8, LIQUID-LIQUID DIFFUSION, CAPILLARIES, temperature 298K |