3WJ4
Crystal structure of PPARgamma ligand binding domain in complex with tributyltin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-12 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.338, 88.286, 57.509 |
| Unit cell angles | 90.00, 90.68, 90.00 |
Refinement procedure
| Resolution | 36.438 - 1.950 |
| R-factor | 0.19641 |
| Rwork | 0.194 |
| R-free | 0.24122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.627 |
| 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] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 41059 | |
| Completeness [%] | 100.0 | 100 |
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 |
