7RLE

Crystal structure of PPAR gamma in complex with CREB-binding protein and agonist GW1929

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	59.890, 99.422, 109.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.710 - 2.500
R-factor	0.2353
Rwork	0.232
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d94
RMSD bond length	0.008
RMSD bond angle	1.208
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.710	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.134	0.534
Rmeas	0.140	0.577
Rpim	0.040	0.208
Number of reflections	22792	2104
<I/σ(I)>	13.49	2.06
Completeness [%]	98.2	93.02
Redundancy	11.6	6.6
CC(1/2)	0.997	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	1M sodium citrate tribasic dihydrate, 0.1M sodium cacodylate, pH 6.5