8ADF

X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ39

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	C 1 2 1
Unit cell lengths	92.878, 59.954, 117.370
Unit cell angles	90.00, 103.29, 90.00

Refinement procedure

Resolution	57.110 - 2.130
R-factor	0.2187
Rwork	0.216
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0r
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.150	2.190
High resolution limit [Å]	2.130	2.130
Number of reflections	40051	2359
<I/σ(I)>	11.2
Completeness [%]	94.5
Redundancy	2.4
CC(1/2)	0.931	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.8 M SODIUM CITRATE, 0.15 M TRIS, PH 8.0