8R2L

Crystal structure of the ectodomain of TBEV E protein (Sofjin strain)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.899990
Spacegroup name	P 41 3 2
Unit cell lengths	165.061, 165.061, 165.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 3.200
Rwork	0.202
R-free	0.28650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.461
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	116.400	3.420
High resolution limit [Å]	3.200	3.200
Rpim		0.221
Number of reflections	50365	878
<I/σ(I)>	32.5
Completeness [%]	100.0
Redundancy	7.5
CC(1/2)	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	Ammonium sulfate, MPD, citric acid