5UJ2

Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 65
Unit cell lengths	141.760, 141.760, 91.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.900
R-factor	0.186
Rwork	0.184
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wt9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.900
Rmerge	0.085
Number of reflections	23027
<I/σ(I)>	15.77
Completeness [%]	99.2
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	289	NS5B AT 5.1 MG/ML IN 5 MM TRIS PH 7.5, 200 MM NH4OAC, 1 MM EDTA, 1 MM DTT AGAINST 25% PEG 550