6VZN

Crystal structure of human PPARgamma ligand binding domain Y473E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	92.637, 61.750, 118.782
Unit cell angles	90.00, 101.93, 90.00

Refinement procedure

Resolution	36.305 - 2.300
R-factor	0.2272
Rwork	0.223
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
RMSD bond length	0.009
RMSD bond angle	1.038
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]	36.305	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.016	0.360
Rmeas	0.023
Rpim	0.016
Number of reflections	28880	2790
<I/σ(I)>	19.42	1.94
Completeness [%]	97.9
Redundancy	2	2
CC(1/2)	1.000	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.1M MOPS, pH 7.4, 0.8M SODIUM CITRATE