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