8QVH

Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-03-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	95.410, 95.410, 244.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.110 - 2.240
R-factor	0.1894
Rwork	0.187
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.110	2.250
High resolution limit [Å]	2.240	2.240
Number of reflections	61484	2056
<I/σ(I)>	6.22
Completeness [%]	100.0
Redundancy	93.32
CC(1/2)	0.989	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	32-42% PEG 3350, 0.1M Li2SO4 and 0.1M Tris-HCl (pH 8.2)