7QS9

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	2020-03-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 1
Unit cell lengths	28.201, 35.555, 44.981
Unit cell angles	75.60, 85.87, 84.69

Refinement procedure

Resolution	34.330 - 1.800
R-factor	0.2405
Rwork	0.238
R-free	0.28740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwc
RMSD bond length	0.006
RMSD bond angle	0.718
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER (1.15.2-3472-000)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.330	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.170	1.160
Number of reflections	55150	5642
<I/σ(I)>	4.8
Completeness [%]	97.4
Redundancy	3.62
CC(1/2)	0.980	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.15m KBr, 30% w/v PEG 2000