2ATH
Crystal structure of the ligand binding domain of human PPAR-gamma im complex with an agonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL17B2 |
| Synchrotron site | NSRRC |
| Beamline | BL17B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.780, 88.523, 57.565 |
| Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.280 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.642 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.072 | 0.372 |
| Number of reflections | 25557 | |
| Completeness [%] | 99.8 | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 20% PEG3350, 0.2 Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP |
