3PEQ
PPARd complexed with a phenoxyacetic 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 | 2006-06-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.472, 95.535, 96.537 |
| Unit cell angles | 90.00, 97.76, 90.00 |
Refinement procedure
| Resolution | 30.260 - 2.400 |
| R-factor | 0.20064 |
| Rwork | 0.199 |
| R-free | 0.23667 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gwx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.053 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.260 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.075 | 0.430 |
| Number of reflections | 25794 | |
| <I/σ(I)> | 17 | 2 |
| Completeness [%] | 97.0 | 94.8 |
| Redundancy | 3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 100 mM potassium iodide, 20% PEG3350, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
