8FKF

Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706

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	2022-08-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	61.765, 61.765, 161.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.150 - 1.820
R-factor	0.1825
Rwork	0.181
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.033
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]	42.150	1.890
High resolution limit [Å]	1.820	1.820
Rmerge	0.056	0.461
Number of reflections	28621	2792
<I/σ(I)>	39.82	6.35
Completeness [%]	99.8	99.64
Redundancy	25.1	26.2

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