3FH7
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
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 | 77.819, 86.993, 99.227 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hs6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.345 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.099 | 0.472 |
| Number of reflections | 42569 | |
| <I/σ(I)> | 5 | |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 6.7 | 6.4 |
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 NAACETATE, 5 MM YBCL3, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
