29HN

Crystal structure of Zika virus NS2B-NS3 protease determined via sulfur phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	50
Detector technology	PIXEL
Collection date	2026-01-28
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.7552
Spacegroup name	P 43 2 2
Unit cell lengths	42.541, 42.541, 215.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.840 - 1.774
R-factor	0.2217
Rwork	0.220
R-free	0.26510
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.010
Data scaling software	Aimless (0.8.2)
Phasing software	CRANK2
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.841	1.855
High resolution limit [Å]	1.774	1.774
Rmerge	0.068	1.159
Rmeas	0.069	1.207
Rpim	0.009	0.316
Number of reflections	16590	829
<I/σ(I)>	29	2.2
Completeness [%]	91.8	79.5
Redundancy	42.5	12.8
CC(1/2)	1.000	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293.15	0.1 M sodium acetate, pH 4.8, 0.2 M ammonium sulfate, 30 % w/v PEG2000