9VZS

X-ray structure of human PPARalpha ligand binding domain-10-hydroxystearic acid (10-HSA) co-crystals obtained by cross-seeding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	44.667, 61.361, 53.081
Unit cell angles	90.00, 106.67, 90.00

Refinement procedure

Resolution	39.154 - 1.455
R-factor	0.1837
Rwork	0.183
R-free	0.20120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.738
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.790	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.034	0.338
Rmeas	0.040	0.407
Rpim	0.021	0.224
Total number of observations	160879
Number of reflections	46538	2185
<I/σ(I)>	18.7	3.1
Completeness [%]	96.4
Redundancy	3.5	3.2
CC(1/2)	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M HEPES (pH 7.0), 25% (w/v) PEG 3350