9IWK

X-ray structure of human PPARgamma 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-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	61.299, 60.054, 92.828
Unit cell angles	90.00, 105.66, 90.00

Refinement procedure

Resolution	44.084 - 2.430
R-factor	0.2397
Rwork	0.238
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.407
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]	44.690	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.038	0.398
Rmeas	0.045	0.467
Rpim	0.024	0.244
Total number of observations	85105
Number of reflections	24392	2536
<I/σ(I)>	16.1	2.8
Completeness [%]	98.7	97.7
Redundancy	3.5	3.5
CC(1/2)	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M Tris (pH 8.5), 30% PEG 8000, 0.2M ammonium sulfate