3FEJ
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.173, 68.817, 88.774 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.010 |
| R-factor | 0.20619 |
| Rwork | 0.204 |
| R-free | 0.24979 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.217 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.070 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Number of reflections | 22412 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris, 15-20% PEG3350, 10% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
