1I7I
CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.928, 61.781, 118.981 |
| Unit cell angles | 90.00, 101.52, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.350 |
| R-factor | 0.236 * |
| Rwork | 0.238 |
| R-free | 0.28200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 2PRG |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 18.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.067 | 0.419 |
| Number of reflections | 25345 | |
| <I/σ(I)> | 21.8 | 2.6 |
| Completeness [%] | 91.3 | 94.1 |
| Redundancy | 2.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | sodium citrate, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | drop | Tris | 20 (mM) | |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | drop | glycerol | 10 (%) | |
| 5 | 1 | drop | TCEP | 1 (mM) | pH8. |
| 6 | 1 | drop | ligand AZ 242 | 0.5 (mM) | |
| 7 | 1 | reservoir | sodium formate | 3.2 (M) | |
| 8 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
