3D6D
Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.540, 61.050, 119.240 |
| Unit cell angles | 90.00, 103.49, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.400 |
| R-factor | 0.249 |
| Rwork | 0.248 |
| R-free | 0.30500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3b3k |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.150 |
| 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 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.094 | 0.327 |
| Number of reflections | 25328 | |
| <I/σ(I)> | 4.8 | 2 |
| Completeness [%] | 98.4 | 97.3 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NaCitrate, 0.15M Tris, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
