7AWC
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with rosiglitazone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 65.516, 65.516, 156.959 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.330 - 1.740 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6tsg |
RMSD bond length | 0.016 |
RMSD bond angle | 1.525 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.330 | 46.330 | 1.800 |
High resolution limit [Å] | 1.740 | 6.740 | 1.740 |
Rmerge | 0.034 | 0.020 | 0.988 |
Rmeas | 0.038 | 0.022 | 0.930 |
Rpim | 0.013 | 0.007 | 0.335 |
Number of reflections | 36073 | 751 | 3461 |
<I/σ(I)> | 24.7 | 2.2 | |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 9.2 | 8.1 | 9.5 |
CC(1/2) | 1.000 | 0.999 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1.4 M ammonium sulfate, 0.1 M tris, pH 7.5 |