9IWJ

X-ray structure of human PPARalpha ligand binding domain-NCoR2 corepressor peptide co-crystals obtained by co-crystallization

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	2021-03-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	99.730, 112.152, 122.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.711 - 2.480
R-factor	0.2265
Rwork	0.225
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.512
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]	48.880	2.560
High resolution limit [Å]	2.480	2.480
Rmerge	0.036	0.362
Rmeas	0.039	0.392
Rpim	0.015	0.150
Total number of observations	329013
Number of reflections	49517	4469
<I/σ(I)>	28.9	4.9
Completeness [%]	100.0	99.9
Redundancy	6.6	6.7
CC(1/2)	1.000	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M HEPES (pH 7.0), 14% PEG 8000, 0.2M magnesium chloride