6AE5

Crystals structure of Classical swine fever virus NS5B (residues 1-672, Y471A mutant, form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 43 21 2
Unit cell lengths	160.653, 160.653, 55.647
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.743 - 2.754
R-factor	0.1833
Rwork	0.181
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cjq
RMSD bond length	0.008
RMSD bond angle	0.882
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.750	5.920	2.750
Rmerge	0.118	0.078	0.456
Rmeas	0.123	0.082	0.477
Rpim	0.034	0.024	0.136
Number of reflections	19483	2127	1908
<I/σ(I)>	5.4
Completeness [%]	100.0	99.8	100
Redundancy	12.8	11.6	12.2
CC(1/2)		0.995	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	Polypropylene glycol 400