2P4Y
Crystal structure of human PPAR-gamma-ligand binding domain complexed with an indole-based modulator
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 | 2002-04-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.148, 59.859, 118.287 |
| Unit cell angles | 90.00, 103.76, 90.00 |
Refinement procedure
| Resolution | 40.340 - 2.250 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SE-MET PPAR-GAMMA-LBD COMPLEX |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.900 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2005) |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.340 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.090 | 0.353 |
| Number of reflections | 29681 | |
| <I/σ(I)> | 15.6 | 2.51 |
| Completeness [%] | 99.0 | 93.7 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.95M Trisodium citrate, 0.1M Tris-HCl pH 8.5, 1mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
