6RWZ

Structure of Zika virus NS3 helicase in complex with ADP-BeF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	52.920, 71.360, 57.349
Unit cell angles	90.00, 93.73, 90.00

Refinement procedure

Resolution	57.230 - 1.700
R-factor	0.169
Rwork	0.167
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jlq
RMSD bond length	0.013
RMSD bond angle	1.540
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.230	1.740
High resolution limit [Å]	1.700	1.700
Rmeas	0.065	1.508
Number of reflections	46828	3274
<I/σ(I)>	13.1	1
Completeness [%]	99.4	94.3
Redundancy	4.1	4
CC(1/2)	0.999	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	20% w/v glycerol, 10% w/v polyethylene glycol 4000, 0.1 M MES/imidazole pH 6.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM trisodium citrate, and 20 mM sodium potassium L-tartrate.