2GC8

Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	85.809, 105.910, 126.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.010 - 2.200
R-factor	0.2159
Rwork	0.238
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1QUV
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX (2002)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.200	2.200
Number of reflections	58577
Completeness [%]	96.8	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	291	25% PEG 4000, 100 mM Sodium Acetate pH 5.1, 10% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K