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 |
