1K7L
The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.561, 121.597, 121.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.500 |
| R-factor | 0.247 * |
| Rwork | 0.247 |
| R-free | 0.28500 * |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.550 * |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNX (2000.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.500 |
| Rmerge | 0.054 * |
| Number of reflections | 49991 |
| Completeness [%] | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | PEG 3350, NaNO3, hexanediol, YCl3, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | bis-Tris-propane | 50 (mM) | pH7.5 |
| 2 | 1 | reservoir | PEG3350 | 4-6 (%) | |
| 3 | 1 | reservoir | 150 (mM) | ||
| 4 | 1 | reservoir | 2,5-hexanediol | 16 (%) | |
| 5 | 1 | reservoir | 1-3 (mM) | ||
| 6 | 1 | drop | ammonium acetate | 220 (mM) | |
| 7 | 1 | drop | HEPES | 20 (mM) | pH7.5 |
| 8 | 1 | drop | EDTA | 1 (mM) | |
| 9 | 1 | drop | dithiothreitol | 1 (mM) |
