8QVK

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	2021-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	95.430, 95.430, 246.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.450 - 2.100
R-factor	0.1943
Rwork	0.192
R-free	0.23090
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]	49.450	2.110
High resolution limit [Å]	2.100	2.100
Number of reflections	72694	7123
<I/σ(I)>	5.96
Completeness [%]	100.0
Redundancy	41.55
CC(1/2)	0.942	0.300

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)