6MVQ

HCV NS5B 1b N316 bound to Compound 31

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	2011-08-23
Detector	RAYONIX MX-300
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	85.811, 106.565, 126.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.140
R-factor	0.2123
Rwork	0.210
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.136
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0081)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.070	4.460	2.070
Rmerge	0.088	0.048	0.599
Number of reflections	72869	7634	7160
<I/σ(I)>	5.7
Completeness [%]	99.6	99.5	99.3
Redundancy	6	5.8	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1M Na Citrate pH5.0, 10% glycerol, 15% PEG3350