6ADW

Crystal structure of the Zika virus NS3 helicase (apo form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	53.532, 68.534, 56.883
Unit cell angles	90.00, 92.40, 90.00

Refinement procedure

Resolution	43.748 - 2.200
R-factor	0.1702
Rwork	0.168
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vbc
RMSD bond length	0.007
RMSD bond angle	0.936
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.097	0.056	0.419
Rmeas	0.114	0.066	0.492
Rpim	0.059	0.034	0.256
Number of reflections	21028	2160	2106
<I/σ(I)>	7.8
Completeness [%]	99.8	99.9	99.8
Redundancy	3.6	3.6	3.6
CC(1/2)		0.993	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	PEG3350, lithium sulfate