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