3H5U

Hepatitis C virus polymerase NS5B with saccharin inhibitor 1

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	2005-01-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	86.019, 105.664, 125.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 1.950
R-factor	0.20914
Rwork	0.206
R-free	0.25935
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.333
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	2.020
High resolution limit [Å]	1.950	1.950
Number of reflections	69603
<I/σ(I)>	9.65	1.16
Completeness [%]	83.2	44.6
Redundancy	4.1	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.9	293	50 mM Na Citrate pH 4.9, 24% PEG 3350, 7.5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K