8QWI

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	93.950, 93.950, 246.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.150 - 2.120
R-factor	0.1782
Rwork	0.177
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
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]	49.150	2.130
High resolution limit [Å]	2.120	2.120
Number of reflections	69231	2336
<I/σ(I)>	9.42
Completeness [%]	100.0
Redundancy	1116
CC(1/2)	0.993	0.770

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)