3G86

Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-09
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	85.915, 106.169, 126.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 2.200
R-factor	0.192
Rwork	0.190
R-free	0.23800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2giq
RMSD bond length	0.013
RMSD bond angle	1.396
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	59593
<I/σ(I)>		2.1
Completeness [%]	98.2	89.8
Redundancy	4.2	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.9	293	50 mM Na Citrate pH 4.9, 24% PEG 4000, 7.5% glycerol, soaking liquor containing 30% glycerol, 0.5mM inhibitor, VAPOR DIFFUSION, SITTING DROP, temperature 293K