2DM6
Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-07 |
| Detector | RIGAKU JUPITER |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.253, 76.075, 79.646 |
| Unit cell angles | 90.00, 102.62, 90.00 |
Refinement procedure
| Resolution | 34.160 - 2.000 |
| Rwork | 0.181 |
| R-free | 0.22400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.115 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.179 |
| Number of reflections | 45006 | 3844 |
| <I/σ(I)> | 51.9 | |
| Completeness [%] | 97.9 | 84.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil batch | 6.4 | 298 | 20% PEG 4000, 50mM magnesium chloride, 0.1M MES, pH 6.4, oil batch, temperature 298K |
