2I4P
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.2 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.540, 60.910, 118.350 |
| Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.273 |
| Rwork | 0.272 |
| R-free | 0.29500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.619 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.040 | |
| Number of reflections | 36896 | |
| <I/σ(I)> | 15.7 | 2.1 |
| Completeness [%] | 96.3 | 92.7 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8 M NaCitrate, 0.15 M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
