6W4G

Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies

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	2005-07-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	85.478, 104.704, 126.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.640 - 1.950
R-factor	0.1873
Rwork	0.184
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2giq
RMSD bond length	0.009
RMSD bond angle	1.648
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.075	0.034	0.507
Total number of observations	315040
Number of reflections	61531	8602	1996
<I/σ(I)>	12.1
Completeness [%]	74.0	98.9	24.3
Redundancy	5.1	5.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	50 mm sodium citrate, pH 4.9, 26% PEG4000, 7.5% glycerol