8QVL

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	2021-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	94.390, 94.390, 247.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.810 - 2.140
R-factor	0.1906
Rwork	0.189
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.940
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]	38.810	2.150
High resolution limit [Å]	2.140	2.140
Number of reflections	71073	6772
<I/σ(I)>	6.78	0.79
Completeness [%]	100.0
Redundancy	1717.44
CC(1/2)	0.988	0.425

Crystallization Conditions

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