3Q0Z

Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	66.300, 91.400, 231.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.080 - 2.290
R-factor	0.2007
Rwork	0.200
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c2p
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	HKL-2000 ((DENZO))
Data scaling software	HKL-2000 ((SCALEPACK))
Phasing software	AMoRE
Refinement software	BUSTER-TNT (BUSTER 2.9.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.133	0.799
Number of reflections	63158
<I/σ(I)>	17.5	2.8
Completeness [%]	98.0	99.6
Redundancy	8.9	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	pH 5.6, vapor diffusion, hanging drop, temperature 293K