4MK7

Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 2 (3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97839
Spacegroup name	P 21 21 21
Unit cell lengths	89.897, 112.418, 125.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 2.800
R-factor	0.2225
Rwork	0.220
R-free	0.27160
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.030
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.214	0.078	0.637
Number of reflections	31275
<I/σ(I)>	3.5
Completeness [%]	97.5	96.5	91.8
Redundancy	4.9	5.1	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.9	292	26% PEG 4000, 7.5% glycerol, 50 mM Na Citrate pH 4.9, vapor diffusion, sitting drop, temperature 292K