3KDU
Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 41 |
| Unit cell lengths | 63.930, 63.930, 126.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 2.070 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.23900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3kdt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.051 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.091 | |
| Number of reflections | 30861 | |
| <I/σ(I)> | 25.1 | 5.6 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 7.5 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | PEG 4000, Ammonium and magnesium acetate, VAPOR DIFFUSION, temperature 298K |
