1I7G
CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9465 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.968, 76.968, 100.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.640 - 2.200 |
| R-factor | 0.237 * |
| Rwork | 0.237 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 2PRG A molecule |
| RMSD bond length | 0.007 |
| RMSD bond angle | 18.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | EPMR |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.390 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.062 * | 0.369 |
| Number of reflections | 17036 | |
| <I/σ(I)> | 5 | 2 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 5.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | Sodium Formate, Hepes, DEOXY-BIGCHAP, pH 6.8, 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 |
