2ZJO

Crystal structure of hepatitis C virus NS3 helicase with a novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Collection date	2003-12-18
Detector	WEISSENBERG
Spacegroup name	P 31 2 1
Unit cell lengths	92.063, 92.063, 104.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.23
Rwork	0.230
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a1v
RMSD bond length	0.008
RMSD bond angle	1.340
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Rmerge	0.065
Number of reflections	17989
<I/σ(I)>	36.3
Completeness [%]	99.8
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	POTASSIUM CHLORIDE, MAGNESIUM ACETATE, PEG8000, SODIUMN CACODYLATE, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K