6DGQ

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506

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	92.200, 59.490, 116.730
Unit cell angles	90.00, 103.55, 90.00

Refinement procedure

Resolution	45.480 - 2.450
R-factor	0.1961
Rwork	0.191
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.008
RMSD bond angle	1.046
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]	45.480	2.538
High resolution limit [Å]	2.450	2.450
Number of reflections	22240	2193
<I/σ(I)>	12.38	2.89
Completeness [%]	97.3	96.95
Redundancy	2	2
CC(1/2)	0.998	0.811

Crystallization Conditions

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