7NXU

Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-Pi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 41 21 2
Unit cell lengths	72.980, 72.980, 196.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.806 - 2.100
Rwork	0.214
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bm0
RMSD bond length	0.009
RMSD bond angle	1.540
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.810	2.220
High resolution limit [Å]	2.097	2.100
Number of reflections	31603	5033
<I/σ(I)>	23.02	3.21
Completeness [%]	99.5	99.5
Redundancy	13.67
CC(1/2)	0.990	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis Tris Propane, 0.02 M Sodium potassium phosphate pH 7.5, 20% w/v, PEG 3350 10% v/v, Ethylene glycol