6DGR

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638

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	2017-04-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	92.861, 60.600, 117.660
Unit cell angles	90.00, 103.14, 90.00

Refinement procedure

Resolution	50.340 - 2.150
R-factor	0.2187
Rwork	0.216
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.008
RMSD bond angle	1.036
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]	50.340	2.227
High resolution limit [Å]	2.150	2.150
Number of reflections	33678	3226
<I/σ(I)>	5.84	1.34
Completeness [%]	96.4	92.89
Redundancy	1.7	1.7
CC(1/2)	0.995	0.805

Crystallization Conditions

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