1NHV

Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	2001-02-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	85.501, 107.826, 126.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.900
R-factor	0.251
Rwork	0.250
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c2p
RMSD bond length	0.008
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.110 *	0.353 *
Total number of observations	91256 *
Number of reflections	25058
<I/σ(I)>	9.9	3.2
Completeness [%]	95.2 *	86.2
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	295	18% (w/v) PEG 4000, 0.3 M NaCl, 0.1 M sodium acetate buffer (pH = 5.0), 5 mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	2-mercaptoethanol	5 (mM)
3	1	reservoir	PEG4000	18 (%(w/v))
4	1	reservoir		0.3 (M)
5	1	reservoir	sodium acetate	0.1 (M)	pH5.0
6	1	reservoir	2-mercaptoethanol	5 (mM)