2Q61
Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.131, 62.390, 117.930 |
| Unit cell angles | 90.00, 100.98, 90.00 |
Refinement procedure
| Resolution | 9.970 - 2.197 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1knu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.329 |
| 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] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.197 | 2.197 |
| Rmerge | 0.066 | 0.500 |
| Number of reflections | 32718 | |
| <I/σ(I)> | 30.2 | 0.047 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 7.1 | 6.7 |
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 |
