5K6K

Zika virus non-structural protein 1 (NS1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	I 2 2 2
Unit cell lengths	96.160, 130.440, 147.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.080 - 1.890
R-factor	0.1498
Rwork	0.149
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o6d
RMSD bond length	0.007
RMSD bond angle	0.838
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.080		1.920
High resolution limit [Å]	1.890	5.130	1.890
Rmerge	0.125	0.060	1.613
Number of reflections	74493
<I/σ(I)>	13.22	37.29	1.33
Completeness [%]	100.0	99.8	100
Redundancy	13.5		13.3
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	25% PEG 3350 150 mM NH3SO4 100 mM tris 8.5