6TSG
Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC
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 | 2019-03-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.678, 61.678, 166.487 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.620 - 2.980 |
R-factor | 0.2395 |
Rwork | 0.236 |
R-free | 0.29240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6avi |
RMSD bond length | 0.011 |
RMSD bond angle | 1.136 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.620 | 41.620 | 3.140 |
High resolution limit [Å] | 2.980 | 9.430 | 2.980 |
Rmerge | 0.084 | 0.022 | 0.972 |
Rmeas | 0.099 | 0.025 | 1.137 |
Rpim | 0.038 | 0.010 | 0.429 |
Number of reflections | 7082 | 270 | 1014 |
<I/σ(I)> | 13.7 | 1.8 | |
Completeness [%] | 99.3 | 95.1 | 99.9 |
Redundancy | 6.3 | 5.1 | 6.7 |
CC(1/2) | 0.999 | 1.000 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 33% PEG 3350 and 0.15 M sodium citrate |