7QSB

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	2021-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	36.882, 60.885, 64.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.550 - 1.840
R-factor	0.2501
Rwork	0.248
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwi
RMSD bond length	0.004
RMSD bond angle	0.608
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]	32.450	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.031	0.360
Number of reflections	13080	1259
<I/σ(I)>	9.16
Completeness [%]	99.6
Redundancy	5
CC(1/2)	0.990	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.5M Sodium nitrate, 0.1m Sodium acetate trihydrate pH 4.6