8CPI

Crystal structure of PPAR gamma (PPARG) in complex with WY-14643

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	2021-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00002
Spacegroup name	P 43 21 2
Unit cell lengths	65.595, 65.595, 157.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.380 - 2.100
R-factor	0.22522
Rwork	0.222
R-free	0.28219
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.159
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]	46.380	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.045	1.085
Rmeas	0.049	1.181
Rpim	0.014	0.323
Number of reflections	20906	2002
<I/σ(I)>	23.5
Completeness [%]	100.0
Redundancy	11.8	12.5
CC(1/2)	1.000	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.6M ammonium sulfate, 0.1M tris 8.0