6L37

X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	61.006, 103.258, 61.133
Unit cell angles	90.00, 100.63, 90.00

Refinement procedure

Resolution	36.482 - 2.910
R-factor	0.192
Rwork	0.189
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vi8
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1-2575-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	3.090
High resolution limit [Å]	2.910	2.910
Rmerge	0.031	0.285
Rmeas	0.037	0.336
Rpim	0.020	0.177
Number of reflections	16226	2616
<I/σ(I)>	23.7	4.2
Completeness [%]	99.1	99.4
Redundancy	3.5	3.5
CC(1/2)	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1 M Tris (pH 8.0), 25 %(w/v) PEG3350