3B1M
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-28 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.946, 54.622, 66.782 |
| Unit cell angles | 90.00, 92.21, 90.00 |
Refinement procedure
| Resolution | 19.000 - 1.600 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lmp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 36868 | |
| <I/σ(I)> | 4.25 | |
| Completeness [%] | 99.4 | 96.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | PEG 4000, sodium thiocyanate, Tris-hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
