5TFR

Crystal structure of Zika Virus NS5 protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	136.013, 196.412, 94.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.660 - 3.050
R-factor	0.191
Rwork	0.188
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6m.pdb
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Refinement software	BUSTER-TNT (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	196.412	196.412	3.060
High resolution limit [Å]	3.050	14.155	3.050
Rmeas	0.230	0.068	1.064
Rpim	0.088	0.028	0.423
Total number of observations	330316	3371	3337
Number of reflections	49315
<I/σ(I)>	8	20.9	2
Completeness [%]	100.0	100	97.8
Redundancy	6.7	5.7	6.3
CC(1/2)	0.994	0.998	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.1 M sodium cacodylate, pH 6.5, 0.6 M trisodium citrate