6MD1

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	92.783, 61.656, 118.631
Unit cell angles	90.00, 102.15, 90.00

Refinement procedure

Resolution	39.510 - 2.200
R-factor	0.225
Rwork	0.223
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.510	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.014	0.282
Rmeas	0.019	0.400
Rpim	0.014	0.282
Number of reflections	32923
<I/σ(I)>	17.74	2.57
Completeness [%]	98.2	97.9
Redundancy	2	2
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.1M MOPS, pH 7.4 0.8M Sodium Citrate