7P4E
Crystal structure of PPARgamma in complex with compound FL217
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 63.013, 63.013, 167.621 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.600 - 2.400 |
R-factor | 0.2313 |
Rwork | 0.229 |
R-free | 0.26840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tsg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.086 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.600 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 13878 | 1418 |
<I/σ(I)> | 18.5 | |
Completeness [%] | 99.6 | |
Redundancy | 9.3 | |
CC(1/2) | 0.998 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1.4M Ammonium sulfate, 0.1M Tris pH7.5 |