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 |