6AE4

Crystals structure of Classical swine fever virus NS5B (residues 1-694, Y471A mutant)

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	2016-06-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	161.492, 161.492, 56.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.037 - 2.950
R-factor	0.1931
Rwork	0.191
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cjq
RMSD bond length	0.009
RMSD bond angle	1.004
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	3.060
High resolution limit [Å]	2.950	6.350	2.950
Rmerge	0.148	0.079	0.518
Rmeas	0.155	0.084	0.542
Rpim	0.047	0.027	0.159
Number of reflections	16243	1761	1577
<I/σ(I)>	6.6
Completeness [%]	99.9	99.3	100
Redundancy	11.3	10	11.5
CC(1/2)		0.997	0.940

Crystallization Conditions

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