6ONI

Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907

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	2019-01-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	61.876, 61.876, 164.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.233 - 1.800
R-factor	0.209
Rwork	0.208
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c1i
RMSD bond length	0.007
RMSD bond angle	0.888
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]	34.233	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.016	0.138
Rmeas	0.023	0.195
Rpim	0.016	0.138
Number of reflections	30550	2995
<I/σ(I)>	21.08	3.29
Completeness [%]	99.5	99.93
Redundancy	2	2
CC(1/2)	1.000	0.956

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