9IWM

X-ray structure of human PPARalpha ligand binding domain-GW7647-TRAP220 coactivator peptide co-crystals obtained by cross-seeding

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-23
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	45.012, 61.916, 52.944
Unit cell angles	90.00, 106.61, 90.00

Refinement procedure

Resolution	43.130 - 1.390
R-factor	0.1845
Rwork	0.183
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.351
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]	43.130	1.410
High resolution limit [Å]	1.390	1.390
Rmerge	0.035	0.341
Rmeas	0.042	0.403
Rpim	0.022	0.213
Total number of observations	186839
Number of reflections	54656	2641
<I/σ(I)>	17.1	3.2
Completeness [%]	97.5	95.7
Redundancy	3.4	3.4
CC(1/2)	0.999	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M Tris (pH 8.5), 25% PEG 3350, 0.2M Ammonium acetate