4DPR
Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-14 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.552, 87.398, 99.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.690 - 2.020 |
| R-factor | 0.1767 |
| Rwork | 0.174 |
| R-free | 0.22761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sqm |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.908 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.690 | 2.130 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.199 | 0.727 |
| Number of reflections | 45143 | |
| <I/σ(I)> | 10.7 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.7 | 277 | 26% PEG 8000, 0.1 mM Na-acetate, 0.1 mM Imidazole, 5 mM YbCL3, pH 6.7, LIQUID DIFFUSION, temperature 277K |
