3FH5
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.401, 87.007, 99.847 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.630 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hs6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.232 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.065 | 0.316 |
Number of reflections | 84142 | |
<I/σ(I)> | 18.4 | |
Completeness [%] | 98.1 | 94.3 |
Redundancy | 5.2 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 13% PEG 8000, 100 MM IMIDAZOLE PH 6.5, 100 MM SODIUM ACETATE, 5 MM YBCL3,, VAPOR DIFFUSION, SITTING DROP, temperature 289K |