3T03
Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2009-10-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.690, 84.390, 96.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.044 - 2.100 |
| R-factor | 0.2122 |
| Rwork | 0.208 |
| R-free | 0.24660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fur |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.317 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_788)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 42.540 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 67318 |
| Completeness [%] | 98.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate, pH 5.6, 30%(w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
