6GP9

Structural studies of hepatitis C virus non-structural protein-5b of genotype 4a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96500
Spacegroup name	P 21 21 21
Unit cell lengths	63.290, 87.050, 96.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.700 - 3.100
R-factor	0.20462
Rwork	0.202
R-free	0.25735
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c2p
RMSD bond length	0.010
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.138	0.800
Number of reflections	10145	742
<I/σ(I)>	9.23	1.74
Completeness [%]	99.7	100
Redundancy	3.9	4
CC(1/2)	0.995	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	292	100 mM sodium citrate pH 5.4, 25-30% (v/v) PEG 550 MME