1KKQ
Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-24 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 103.409, 112.773, 123.954 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 3.000 |
| R-factor | 0.257 * |
| Rwork | 0.258 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k7l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.956 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.068 * | 0.158 |
| Number of reflections | 29380 | |
| <I/σ(I)> | 23.3 | 2 |
| Completeness [%] | 99.0 | 96.1 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG35K, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG35000 | 5.5-9.6 (%) | |
| 2 | 1 | reservoir | di-ammonium hydrogen citrate | 50 (mM) | pH4.9 |
| 3 | 1 | reservoir | BTP | 50 (mM) | pH7.0 |
| 4 | 1 | reservoir | MPD | 10 (%) | |
| 5 | 1 | drop | protein | 9.0 (mg/ml) |
