2WCX

Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	68.407, 94.708, 95.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.350 - 2.000
R-factor	0.16931
Rwork	0.167
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1csj
RMSD bond length	0.022
RMSD bond angle	1.909
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.710	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.090	0.350
Number of reflections	42683
<I/σ(I)>	18	5.2
Completeness [%]	97.2	94.9
Redundancy	6.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		pH 6.0