3LMP
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.767, 53.975, 66.531 |
| Unit cell angles | 90.00, 92.37, 90.00 |
Refinement procedure
| Resolution | 19.590 - 1.900 |
| R-factor | 0.208 |
| Rwork | 0.203 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2prg |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 21723 | |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 4000, NaSCN, vapor diffusion, temperature 295K, VAPOR DIFFUSION, HANGING DROP, pH 8.5 |
