6L96

Structure of PPARalpha-LBD/pemafibrate/SRC1 peptide

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	2019-03-10
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	82.736, 82.736, 177.521
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.670 - 3.200
R-factor	0.19025
Rwork	0.187
R-free	0.25272
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hyk
RMSD bond length	0.007
RMSD bond angle	1.642
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.080	0.678
Number of reflections	22457	1107
<I/σ(I)>	20.8	1.5
Completeness [%]	100.0	100
Redundancy	5.9	6.1
CC(1/2)	0.996	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.2 M ammonium sulfate and 0.1M bis-tris-HCl (pH 6.5)