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) |