2I4Z
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). This structure has been obtained from crystals soaked for 6 hours.
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 | 93.000, 60.140, 118.080 |
| Unit cell angles | 90.00, 103.70, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.250 |
| Rwork | 0.238 |
| R-free | 0.29000 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1prg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.186 |
| 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 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.408 | |
| Number of reflections | 29712 | |
| <I/σ(I)> | 16.9 | 2.9 |
| Completeness [%] | 97.7 | 94.7 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8 M NaCitrate, 0.15 M Tris. Crystals of the apo-form have been soaked for 6 hours in a solution containing the ligand, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
