9QG0

Human PPAR-gamma ligand binding domain in complex with LW128

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	93.918, 61.030, 119.069
Unit cell angles	90.00, 101.61, 90.00

Refinement procedure

Resolution	33.170 - 2.100
R-factor	0.2164
Rwork	0.215
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.170	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	38671	3151
<I/σ(I)>	8.5	1.1
Completeness [%]	99.8
Redundancy	7.5
CC(1/2)	0.997	0.710

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