6PDZ

Crystal structure of PPARgamma ligand binding domain in complex with SMRT 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	2019-04-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	59.756, 93.484, 114.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 2.100
R-factor	0.194
Rwork	0.191
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oni
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]	37.823	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.031	0.236
Number of reflections	38114	3776
<I/σ(I)>	12.4	3
Completeness [%]	99.6	99.5
Redundancy	2	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 PEG8000