9GWG

Human PPAR-gamma ligand binding domain in complex with LW88

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	C 1 2 1
Unit cell lengths	93.698, 61.615, 119.237
Unit cell angles	90.00, 102.05, 90.00

Refinement procedure

Resolution	46.040 - 2.300
R-factor	0.2212
Rwork	0.220
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.999
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.040	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	29684	2890
<I/σ(I)>	6.8
Completeness [%]	99.7
Redundancy	6.9
CC(1/2)	0.997	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.9M-1.2M sodium citrate tribasic dihydrate, 0.1M sodium cacodylate pH 6.4-7.4