6O68

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

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	92.390, 59.960, 117.610
Unit cell angles	90.00, 103.02, 90.00

Refinement procedure

Resolution	49.900 - 2.780
R-factor	0.2398
Rwork	0.233
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.010
RMSD bond angle	1.285
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.900	2.879
High resolution limit [Å]	2.780	2.780
Rmerge	0.059	0.457
Rmeas	0.083	0.647
Rpim	0.059	0.457
Number of reflections	15994	1605
<I/σ(I)>	8.13	1.71
Completeness [%]	99.8	99.94
Redundancy	1.9	1.9
CC(1/2)	0.996	0.642

Crystallization Conditions

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