2P54
a crystal structure of PPAR alpha bound with SRC1 peptide and GW735
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 | 2001-07-05 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.263, 103.535, 49.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.790 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo PPAR alpha |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.045 | 0.350 |
| Number of reflections | 30145 | |
| <I/σ(I)> | 39.45 | 5.2 |
| Completeness [%] | 98.0 | 95.8 |
| Redundancy | 7.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 7% PEG 3350, 200 mM NaF, 12% 2,5-hexanediol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
