3B7U
Leukotriene A4 Hydrolase Complexed with KELatorphan
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 | 77.829, 87.136, 99.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.667 - 1.900 |
R-factor | 0.188 |
Rwork | 0.170 |
R-free | 0.21700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1h19 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.770 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 14.667 | 14.670 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.095 | 0.062 | 0.252 |
Total number of observations | 6477 | 18463 | |
Number of reflections | 52364 | ||
<I/σ(I)> | 4.9 | 9.5 | 1.2 |
Completeness [%] | 97.5 | 87.8 | 96 |
Redundancy | 3.5 | 4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | liquid-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-liquid diffusion, temperature 298K |