8PN6

Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9212
Spacegroup name	P 43 2 2
Unit cell lengths	43.010, 43.010, 216.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.700 - 1.610
R-factor	0.21027
Rwork	0.208
R-free	0.25789
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.370
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.700	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.055	1.049
Rmeas	0.056
Rpim	0.012	0.226
Number of reflections	28203	1313
<I/σ(I)>	24.6
Completeness [%]	100.0
Redundancy	22.4	22.2
CC(1/2)	0.999	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)