6T1V

Structure of PPARg H494Y mutant in complex with GW1929

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.968
Spacegroup name	I 2 2 2
Unit cell lengths	56.349, 120.741, 149.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.740 - 2.210
R-factor	0.1685
Rwork	0.166
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xld
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.740	2.290
High resolution limit [Å]	2.210	2.210
Number of reflections	25902	2559
<I/σ(I)>	17.9
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2 M ammonium acetate, 0.1 M Hepes pH 7.5, trisodium citrate 1.2M