3KMG
The X-ray Crystal Structure of PPAR-gamma in Complex with an Indole Derivative Modulator, GSK538, and an SRC-1 Peptide
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 | 2006-07-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.335, 84.158, 96.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.850 - 2.100 |
| R-factor | 0.19915 |
| Rwork | 0.198 |
| R-free | 0.23014 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RCSB ENTRY 1fm9 chain D |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.256 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.038 | 0.427 |
| Number of reflections | 39982 | |
| <I/σ(I)> | 45.7 | 3.3 |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 7.2 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Diffraction grade crystals grew in 7-14 days at 22C using 2uL vapor diffused hanging drops made with 1uL of the complex and 1uL of the well solution comprised of 14% PEG4K, 0.2M NaSCN and 0.1M Bis-tris pH 6.5., VAPOR DIFFUSION, HANGING DROP, temperature 295K |
