6ONJ

Crystal structure of PPARgamma ligand binding domain in complex with TRAP220 peptide and agonist rosiglitazone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	200
Detector technology	PIXEL
Collection date	2019-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	54.386, 85.574, 121.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.640 - 2.300
R-factor	0.218
Rwork	0.212
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1prg
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]	36.640	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.023	0.157
Number of reflections	12926	1260
<I/σ(I)>	16.54	4.37
Completeness [%]	99.6	99.8
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M Sodium acetate trihydrate 0.1M Tris, pH 8.5 30% w/v, PEG 4000