8CO8

Structure of West Nile Virus NS2B-NS3 protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 64
Unit cell lengths	56.895, 56.895, 103.902
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.270 - 1.910
R-factor	0.2218
Rwork	0.219
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.537
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.272	1.940
High resolution limit [Å]	1.910	1.910
Number of reflections	14877	692
<I/σ(I)>	2.8
Completeness [%]	100.0
Redundancy	20.6
CC(1/2)	0.989	0.242

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Morpheus-20180831 0.12 M Ethylene glycols 0.1 M Buffer System 3 pH 8.5 50% v/v Precipitant Mix 4