9T5S

Crystal structure of human PPARalpha in complex with co-activator PGC-1 alpha peptide and bempedoic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97626
Spacegroup name	P 1 21 1
Unit cell lengths	60.253, 99.748, 61.612
Unit cell angles	90.00, 99.80, 90.00

Refinement procedure

Resolution	38.540 - 1.740
R-factor	0.1798
Rwork	0.178
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.710	1.860
High resolution limit [Å]	1.740	1.740
Number of reflections	58151	2908
<I/σ(I)>	12.9
Completeness [%]	94.1
Redundancy	7.1
CC(1/2)	0.990	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	20 %w/v PEG 3350, 0.2 M Na2HPO4