6MVK

HCV NS5B 1b N316 bound to Compound 18

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	2011-07-13
Detector	RAYONIX MX-300
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	86.372, 107.468, 126.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.750 - 2.300
R-factor	0.2097
Rwork	0.207
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.094
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.6.0081)
Refinement software	REFMAC (5.6.0081)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.340
High resolution limit [Å]	2.300	6.230	2.300
Rmerge	0.105	0.044	0.470
Total number of observations	378618
Number of reflections	52919	2866	2637
<I/σ(I)>	5.4
Completeness [%]	99.7	100	99.8
Redundancy	7.2	6.8	6.9

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