3FRZ

Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	101
Detector technology	IMAGE PLATE
Collection date	2004-08-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	83.200, 83.200, 180.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.860
R-factor	0.17726
Rwork	0.175
R-free	0.22140
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.017
RMSD bond angle	1.482
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.930
High resolution limit [Å]	1.860	1.860
Number of reflections	52311
<I/σ(I)>		13.4
Completeness [%]	97.4	95.3
Redundancy	11.98	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	Stock crystals generated from 2uL Protein:AG9322(1:5)+ 2uL precipitant equilibrated against reservoir 18.0% PEG 3K, 0.1M Citrate pH 5.5, 14% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K