8ZBL

Glycosidated glycyrrhetinic acid derivative as a soluble epoxide hydrolase inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-13
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	93.093, 93.093, 245.365
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.420 - 2.700
R-factor	0.212
Rwork	0.209
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.853
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.420	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	18116	1764
<I/σ(I)>	12.59
Completeness [%]	99.3
Redundancy	35.6
CC(1/2)	0.996	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BIS-TRIS pH 6.5; 28% w/v Polyethylene glycol monomethyl ether 2,000