8ZFP

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 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	91.844, 62.221, 119.237
Unit cell angles	90.00, 102.28, 90.00

Refinement procedure

Resolution	51.130 - 2.480
R-factor	0.24
Rwork	0.237
R-free	0.30300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
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]	51.133	2.570
High resolution limit [Å]	2.480	2.480
Rmerge	0.132
Number of reflections	23546	2313
<I/σ(I)>	8.54
Completeness [%]	98.4	96.9
Redundancy	6.5	6.5
CC(1/2)		0.461

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