8ZFS

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and MRL24

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	92.417, 61.630, 119.549
Unit cell angles	90.00, 102.19, 90.00

Refinement procedure

Resolution	58.427 - 2.560
R-factor	0.2244
Rwork	0.222
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	1.288
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]	58.430	2.650
High resolution limit [Å]	2.560	2.560
Number of reflections	21415	2139
<I/σ(I)>	12.8	1.42
Completeness [%]	99.5	98.6
Redundancy	6.6	6.4
CC(1/2)	0.999	0.665

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