8ZFQ

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and BVT.13

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	92.637, 61.775, 119.133
Unit cell angles	90.00, 102.38, 90.00

Refinement procedure

Resolution	51.019 - 2.490
R-factor	0.2343
Rwork	0.231
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.183
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]	51.020	2.579
High resolution limit [Å]	2.490	2.490
Number of reflections	23269	2307
<I/σ(I)>	14.71
Completeness [%]	99.1	99.22
Redundancy	6.6	1.76
CC(1/2)	0.999	0.792

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