6C1I

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	123
Detector technology	PIXEL
Collection date	2016-03-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91841
Spacegroup name	C 1 2 1
Unit cell lengths	92.990, 61.690, 118.660
Unit cell angles	90.00, 102.31, 90.00

Refinement procedure

Resolution	48.920 - 2.260
R-factor	0.219
Rwork	0.215
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.008
RMSD bond angle	0.934
Data scaling software	SCALA
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.921	2.341
High resolution limit [Å]	2.260	2.260
Rpim	0.030	0.336
Number of reflections	31012
<I/σ(I)>	10.73	2.12
Completeness [%]	99.5	99.84
Redundancy	2
CC(1/2)	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	0.1 M MOPS, pH 6.5, 0.8 M sodium citrate