2I4Z
Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). This structure has been obtained from crystals soaked for 6 hours.
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 | 93.000, 60.140, 118.080 |
Unit cell angles | 90.00, 103.70, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.250 |
Rwork | 0.238 |
R-free | 0.29000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1prg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.186 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.408 | |
Number of reflections | 29712 | |
<I/σ(I)> | 16.9 | 2.9 |
Completeness [%] | 97.7 | 94.7 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.8 M NaCitrate, 0.15 M Tris. Crystals of the apo-form have been soaked for 6 hours in a solution containing the ligand, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |