5JRZ

Structure of the NS3 helicase from the French Polynesia strain of the Zika virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97981
Spacegroup name	P 1 21 1
Unit cell lengths	52.304, 71.864, 59.281
Unit cell angles	90.00, 94.60, 90.00

Refinement procedure

Resolution	35.446 - 1.620
R-factor	0.162
Rwork	0.161
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jlu
RMSD bond length	0.005
RMSD bond angle	0.759
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.650
High resolution limit [Å]	1.620	4.400	1.620
Rmerge	0.093	0.054	0.830
Rmeas	0.107	0.062	0.969
Rpim	0.052	0.030	0.493
Total number of observations	224045
Number of reflections	56414
<I/σ(I)>	14.9
Completeness [%]	99.7	95.6	99.3
Redundancy	4	4	3.6
CC(1/2)		0.995	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	PEG8K, MOPS buffer, 200 mM magnesium acetate