6DH9

Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602

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	2017-12-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97741
Spacegroup name	C 1 2 1
Unit cell lengths	93.120, 60.200, 118.040
Unit cell angles	90.00, 103.59, 90.00

Refinement procedure

Resolution	57.370 - 2.700
R-factor	0.191
Rwork	0.185
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.370	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.068	0.322
Number of reflections	17635	1749
<I/σ(I)>	8.73	2.56
Completeness [%]	99.5	98.5
Redundancy	1.9	1.8

Crystallization Conditions

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