2Q6R
Crystal structure of PPAR gamma complexed with partial agonist SF147
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9764 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.800, 62.255, 118.071 |
| Unit cell angles | 90.00, 101.12, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.407 |
| R-factor | 0.27 |
| Rwork | 0.269 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1knu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.616 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.068 | 0.196 |
| Number of reflections | 22911 | |
| <I/σ(I)> | 24.6 | 4.8 |
| Completeness [%] | 91.3 | 56.8 |
| Redundancy | 6.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4M sodium citrate, 0.125M Tris 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
