6LD1

Zika NS5 polymerase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	64.030, 82.890, 69.430
Unit cell angles	90.00, 114.52, 90.00

Refinement procedure

Resolution	19.690 - 1.400
R-factor	0.1973
Rwork	0.196
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tfr
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3 (3-OCT-2019))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.690	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.054	1.700
Number of reflections	126423	12347
<I/σ(I)>	15.95	0.93
Completeness [%]	97.5
Redundancy	6.9
CC(1/2)	0.990	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	10% PEG 6000, 0.2M HEPES pH 7.5