7QSA

Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	H 3 2
Unit cell lengths	69.947, 69.947, 201.608
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.020 - 2.020
Rwork	0.253
R-free	0.28740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwi
RMSD bond length	0.013
RMSD bond angle	1.340
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER (1.15.2-3472-000)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.020	2.120
High resolution limit [Å]	2.020	2.050
Rmerge	0.113
Number of reflections	12838	2401
<I/σ(I)>	7.58
Completeness [%]	99.3
Redundancy	12.2
CC(1/2)	0.974	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Sodium nitrate, 0.1M Bis-Tris propane pH7.5, 20% w/v PEG 3350