2R59
Leukotriene A4 hydrolase complexed with inhibitor RB3041
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 | 78.210, 87.230, 99.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.850 - 1.890 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.22700 |
| Starting model (for MR) | 1h19 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.717 |
| Data reduction software | XFIT |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.515 | 2.000 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.078 | 0.260 |
| Total number of observations | 42392 | |
| Number of reflections | 53141 | |
| <I/σ(I)> | 6.2 | 2.7 |
| Completeness [%] | 97.5 | 94.9 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 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 DIFFUSION, temperature 298K |
