7E5I

HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH APHM6 OBTAINED BY SOAKING

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	44.721, 62.003, 53.122
Unit cell angles	90.00, 106.50, 90.00

Refinement procedure

Resolution	39.360 - 1.580
R-factor	0.2076
Rwork	0.207
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2znn
RMSD bond length	0.007
RMSD bond angle	0.846
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.025	0.316
Rmeas	0.035	0.445
Rpim	0.025	0.314
Number of reflections	70059	1873
<I/σ(I)>	12.8	2.3
Completeness [%]	99.2	99.1
Redundancy	3.4	3.6
CC(1/2)	0.999	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M Bis-Tris, 25% (w/v) polyethylene glycol (PEG) 3350