3CDS
Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.250, 60.980, 118.540 |
| Unit cell angles | 90.00, 102.83, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.650 |
| R-factor | 0.243 |
| Rwork | 0.241 |
| R-free | 0.31900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.230 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.084 | 0.486 |
| Number of reflections | 18672 | |
| <I/σ(I)> | 7.7 | 1.4 |
| Completeness [%] | 98.3 | 98.1 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NaCitrate, 0.15mM Tris, pH 8.000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
