3WJ5
Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.521, 88.492, 57.943 |
| Unit cell angles | 90.00, 91.06, 90.00 |
Refinement procedure
| Resolution | 36.510 - 1.890 |
| R-factor | 0.20485 |
| Rwork | 0.203 |
| R-free | 0.24741 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.516 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.515 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 45406 | |
| Completeness [%] | 99.8 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100mM Tris-HCl pH 8.5, 160mM CH3COONH4, 19-23% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
