2XXD

HCV-JFH1 NS5B polymerase structure at 1.9 angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-16
Detector	ADSC QUANTUM 315r
Spacegroup name	C 2 2 21
Unit cell lengths	99.000, 110.400, 115.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.821 - 1.881
R-factor	0.1602
Rwork	0.158
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	JFH1-T385A-NS5B STRUCTURE
RMSD bond length	0.006
RMSD bond angle	0.985
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.120	0.720
Number of reflections	51136
<I/σ(I)>	14.1	2.8
Completeness [%]	99.5	95
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.2M SODIUM PHOSPHATE PH 6.5, 12% PEG3350.