5YF6

Crystals structure of Classical swine fever virus NS5B (residues 1-682)

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	2016-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	161.352, 161.352, 55.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.987 - 2.100
R-factor	0.1819
Rwork	0.180
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cjq
RMSD bond length	0.007
RMSD bond angle	0.800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.066	0.037	0.459
Rmeas	0.070	0.040	0.483
Rpim	0.022	0.013	0.150
Total number of observations	448970
Number of reflections	43794	4675	4297
<I/σ(I)>	11.9
Completeness [%]	100.0	99.7	100
Redundancy	10.3	9.5	10.3
CC(1/2)		0.999	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	289	Polypropylene glycol 400