5GXJ

Zika Virus NS2B-NS3 protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 41 21 2
Unit cell lengths	55.206, 55.206, 250.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.040 - 2.600
R-factor	0.22703
Rwork	0.224
R-free	0.27268
RMSD bond length	0.019
RMSD bond angle	2.002
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Number of reflections	12503
<I/σ(I)>	17
Completeness [%]	99.9
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	293	0.1 M bis-tris, 0.05 M calcium chloride dihydrate, 30% polyethylene glycol monomethyl ether 550