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