6AVI

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	92.572, 61.743, 118.376
Unit cell angles	90.00, 102.15, 90.00

Refinement procedure

Resolution	57.862 - 2.290
R-factor	0.2526
Rwork	0.249
R-free	0.31440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.009
RMSD bond angle	1.072
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.862	2.372
High resolution limit [Å]	2.290	2.290
Rmerge	0.070
Rpim	0.029
Number of reflections	29660
<I/σ(I)>	11.9
Completeness [%]	98.9	98
Redundancy	6.8	6.8
CC(1/2)	0.999	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.8M SODIUM CITRATE, 100mM TRIS, pH 7.6