2XWH

HCV-J6 NS5B polymerase structure at 1.8 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	2009-05-23
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	64.830, 94.300, 113.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.660 - 1.800
R-factor	0.1661
Rwork	0.164
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i5k
RMSD bond length	0.006
RMSD bond angle	1.010
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	64666
<I/σ(I)>	7.8	2
Completeness [%]	99.4	100
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		0.1M TRIS PH8 10% PEG 300