5PZO

CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-17
Detector	RAYONIX MX-225
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	65.200, 90.300, 234.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.230 - 2.800
R-factor	0.202
Rwork	0.200
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NS5B/LIGAND+LIGAND
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	34956
<I/σ(I)>	20.3	3
Completeness [%]	99.6	99.9
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	100 mM sodium citrate, pH 5.6, 1.75 M (NH4)2SO4