4HEE
Crystal structure of PPARgamma in complex with compound 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 54.787, 72.382, 143.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.800 - 2.500 |
R-factor | 0.1945 |
Rwork | 0.191 |
R-free | 0.25780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 8628 | |
Completeness [%] | 83.9 | 71.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100mM PIPES, 200mM Sodium Thiocyanate, 16% PEG4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |