5WSO

crystal structure of BVDV NS3 helicase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-22
Detector	RAYONIX MX-225
Wavelength(s)	1.0000
Spacegroup name	P 32
Unit cell lengths	121.100, 121.100, 109.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 2.820
R-factor	0.2732
Rwork	0.272
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.361
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.875	48.608	2.970
High resolution limit [Å]	2.820	8.920	2.820
Rmerge		0.089	0.451
Number of reflections	41208
<I/σ(I)>	17.3	7.3	1.6
Completeness [%]	100.0	98.8	100
Redundancy	15	14.3	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M sodium formate, 15% PEG 3350