8FHG

Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437

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	2019-04-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	61.054, 61.054, 159.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.950 - 1.800
R-factor	0.203
Rwork	0.201
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.869
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]	37.950	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.020	0.162
Rmeas	0.029	0.229
Rpim	0.020	0.162
Number of reflections	28829	2799
<I/σ(I)>	19.45	3.89
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.928

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