8FKE

Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904

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	2021-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979318
Spacegroup name	P 41 21 2
Unit cell lengths	61.888, 61.888, 164.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.070 - 2.020
R-factor	0.197
Rwork	0.194
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.463
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.070	2.088
High resolution limit [Å]	2.020	2.020
Rmerge	0.077	1.073
Number of reflections	21902	2109
<I/σ(I)>	23.01	2.28
Completeness [%]	99.7	97.86
Redundancy	12.6	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000