8CPH

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

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 21 21 21
Unit cell lengths	62.521, 63.355, 168.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.540 - 2.400
R-factor	0.21886
Rwork	0.216
R-free	0.26341
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.326
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]	44.500	2.510
High resolution limit [Å]	2.400	2.400
Rmerge	0.058	1.255
Rmeas	0.063	1.409
Rpim	0.020	0.455
Number of reflections	26908	3218
<I/σ(I)>	17.2	1.8
Completeness [%]	99.8
Redundancy	9.6	9.4
CC(1/2)	1.000	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	30% PEG 3350, 0.15M sodium citrate