8ZFT

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664

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	93.880, 62.680, 121.040
Unit cell angles	90.00, 102.46, 90.00

Refinement procedure

Resolution	59.095 - 3.200
R-factor	0.2094
Rwork	0.202
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.370
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.095	3.314
High resolution limit [Å]	3.200	3.200
Number of reflections	11555	1163
<I/σ(I)>	10.7
Completeness [%]	99.9	100
Redundancy	2	2
CC(1/2)	0.995	0.809

Crystallization Conditions

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