9RMF

Soluble epoxide hydrolase in complex with AK188

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	130.660, 80.082, 88.981
Unit cell angles	90.00, 127.33, 90.00

Refinement procedure

Resolution	70.750 - 2.000
R-factor	0.1822
Rwork	0.181
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.750	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.127	1.415
Rmeas	0.137	1.525
Rpim	0.051	0.566
Number of reflections	49369	4918
<I/σ(I)>	9.1	1.18
Completeness [%]	100.0	99.88
Redundancy	7.1	7.2
CC(1/2)	0.998	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M bis-tris pH 5.5, 0.1M bis-tris pH 5.5, 0.1M bis-tris pH 5.5