4JAZ
Crystal structure of the complex between PPARgamma LBD and trans-resveratrol
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 | PIXEL |
| Collection date | 2012-12-21 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.720, 63.380, 119.760 |
| Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.850 |
| Rwork | 0.237 |
| R-free | 0.26350 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.569 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.072 | 0.422 |
| Number of reflections | 13805 | |
| <I/σ(I)> | 7.2 | 1.8 |
| Completeness [%] | 86.2 | 86.3 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NA CITRATE, 0.15M TRIS, PH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
