7VLI

Crystal structure of Zika NS2B-NS3 protease with compound MI2220

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 43 2 2
Unit cell lengths	42.450, 42.450, 215.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.650 - 2.385
Rwork	0.230
R-free	0.28790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gpi
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.650	2.470
High resolution limit [Å]	2.385	2.385
Number of reflections	8604	812
<I/σ(I)>	14.49
Completeness [%]	99.6
Redundancy	24
CC(1/2)	0.999	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	2M Ammonium Sulfate