7WGP

X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid 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 21 21 21
Unit cell lengths	50.161, 64.464, 124.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.718 - 2.530
R-factor	0.2117
Rwork	0.209
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wm0
RMSD bond length	0.005
RMSD bond angle	0.794
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1-2575-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.510	46.510	2.640
High resolution limit [Å]	2.530	8.770	2.530
Rmerge	0.084	0.056	0.374
Rmeas	0.092	0.061	0.406
Rpim	0.036	0.023	0.156
Total number of observations	88566	2267	10466
Number of reflections	13952	400	1611
<I/σ(I)>	10.8	21.3	2.8
Completeness [%]	99.3	99.2	95.4
Redundancy	6.3	5.7	6.5
CC(1/2)	0.998	0.997	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Tris (pH 8.0), 1.1 M trisodium citrate