9QGJ

Human PPAR-gamma ligand binding domain in complex with LW90

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	C 1 2 1
Unit cell lengths	94.166, 61.582, 119.003
Unit cell angles	90.00, 101.82, 90.00

Refinement procedure

Resolution	58.240 - 2.200
R-factor	0.2245
Rwork	0.223
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.362
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]	58.240	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	33110	2835
<I/σ(I)>	8.7	1.5
Completeness [%]	97.4
Redundancy	2.8
CC(1/2)	0.994	0.735

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