9GWH

Human PPAR-gamma ligand binding domain in complex with LW77

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	94.268, 62.109, 119.798
Unit cell angles	90.00, 101.90, 90.00

Refinement procedure

Resolution	46.290 - 2.100
R-factor	0.219
Rwork	0.217
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.975
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]	46.290	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	39519	3221
<I/σ(I)>	11.1
Completeness [%]	99.5
Redundancy	6.9
CC(1/2)	0.999	0.784

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