3CDP
Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid
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 | 93.210, 61.650, 118.360 |
| Unit cell angles | 90.00, 103.01, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.237 |
| Rwork | 0.236 |
| R-free | 0.29800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.250 |
| 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 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.104 | 0.469 |
| Number of reflections | 16156 | |
| <I/σ(I)> | 6.6 | 1.6 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NaCitrate, 0.15mM Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
