5WX1

The closed-conformation crystal structure of the full-length pestivirus NS3 with its NS4A protease cofactor segment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 42 21 2
Unit cell lengths	111.084, 111.084, 139.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.678 - 2.350
R-factor	0.1983
Rwork	0.196
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cbg 1cu1
RMSD bond length	0.008
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.088	0.047	0.516
Rmeas	0.096	0.052	0.563
Rpim	0.038	0.021	0.222
Total number of observations	219021
Number of reflections	35913	3723	3576
<I/σ(I)>	11.4
Completeness [%]	97.1	93.8	98.5
Redundancy	6.1	5.9	6.1
CC(1/2)		0.996	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	289	malic acid