3B3K
Crystal structure of the complex between PPARgamma and the full agonist LT175
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-24 |
Detector | MARRESEARCH |
Wavelength(s) | 1.2 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.144, 61.569, 118.797 |
Unit cell angles | 90.00, 103.40, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.600 |
R-factor | 0.245 |
Rwork | 0.237 |
R-free | 0.31600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1prg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.210 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.045 | 0.366 |
Number of reflections | 20634 | |
<I/σ(I)> | 25.6 | 3.4 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8M NaCitrate, 0.15M Tris, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |