5GJC

Zika virus NS3 helicase in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	51.595, 74.167, 57.740
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	37.729 - 2.204
R-factor	0.1995
Rwork	0.197
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jmt
RMSD bond length	0.004
RMSD bond angle	0.914
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.942
Number of reflections	42724
<I/σ(I)>	22.8
Completeness [%]	99.3
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	291	0.1M HEPES(pH 7.4), 9% (w/v) polyethylene glycol 3350