5TRK

CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH N-{3-[(benzenecarbonyl)amino]-4-[(4-chlorophenyl)methoxy]benzene-1-carbonyl}glycine

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	CCD
Collection date	2007-04-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.500, 91.400, 232.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 2.060
R-factor	0.18
Rwork	0.179
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3QOZ
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	BUSTER-TNT (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.130
High resolution limit [Å]	2.060	2.060
Number of reflections	82368
<I/σ(I)>	18.9	4.3
Completeness [%]	92.4	92.2
Redundancy	5.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	100 mM Sodium Citrate, 1.75 M (NH4)2SO4