9V8F

PPARgamma ligand-binding domain in complex with PG14

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	32.510, 85.140, 99.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.050 - 1.750
R-factor	0.19375
Rwork	0.192
R-free	0.23042
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8hum
RMSD bond length	0.008
RMSD bond angle	1.673
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PARROT
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.010	1.860
High resolution limit [Å]	1.750	1.750
Number of reflections	28845	4714
<I/σ(I)>	23.6	1.8
Completeness [%]	100.0
Redundancy	84.6
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Bis-Tris HCl (pH 6.2 to 6.5), 23% PEG 3,350, and 0.2 M MgCl2