6LD3

Zika NS5 polymerase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9538
Spacegroup name	P 1 21 1
Unit cell lengths	63.650, 84.990, 69.780
Unit cell angles	90.00, 113.28, 90.00

Refinement procedure

Resolution	51.180 - 2.300
R-factor	0.1945
Rwork	0.192
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tfr
RMSD bond length	0.008
RMSD bond angle	0.910
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]	51.180	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.085
Number of reflections	29894	10139
<I/σ(I)>	10.22
Completeness [%]	98.2
Redundancy	3.5
CC(1/2)	0.997	0.656

Crystallization Conditions

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