3DY6
PPARdelta complexed with an anthranilic acid partial agonist
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 | 2004-06-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.886, 94.324, 97.066 |
| Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
| Resolution | 24.010 - 2.900 |
| R-factor | 0.21852 |
| Rwork | 0.217 |
| R-free | 0.24445 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gwx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.048 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.220 | 2.975 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.073 | 0.250 |
| Number of reflections | 14657 | |
| <I/σ(I)> | 17 | 2 |
| Completeness [%] | 97.2 | 76 |
| Redundancy | 3.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 100mM potassium iodide, PEG3500, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
