5QJ0

CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-21
Detector	RAYONIX MX-300
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	62.250, 89.986, 124.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.490 - 2.080
R-factor	0.174
Rwork	0.173
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yuy
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.040	2.190
High resolution limit [Å]	2.080	2.080
Number of reflections	41175
<I/σ(I)>	14.9	3.8
Completeness [%]	96.6	87.5
Redundancy	5.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	277	100 mM sodium citrate, pH 4.6, 200 mM (NH4)2SO4, 25% (w/v) PEG 4000