6O67

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

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	92.930, 60.350, 118.110
Unit cell angles	90.00, 103.14, 90.00

Refinement procedure

Resolution	48.300 - 2.520
R-factor	0.1923
Rwork	0.187
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.008
RMSD bond angle	0.994
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.610
High resolution limit [Å]	2.520	2.520
Rmerge	0.036	0.303
Rmeas	0.051	0.428
Rpim	0.036	0.303
Number of reflections	21743	2124
<I/σ(I)>	11.79	2.54
Completeness [%]	99.9	99.77
Redundancy	2	2
CC(1/2)	0.999	0.814

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