6AE6

Crystals structure of Classical swine fever virus NS5B (residues 1-672, Y471A mutant, form 2)

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 32 2 1
Unit cell lengths	115.501, 115.501, 293.335
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.319 - 3.856
R-factor	0.2111
Rwork	0.209
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cjq
RMSD bond length	0.003
RMSD bond angle	0.682
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	3.990
High resolution limit [Å]	3.850	8.280	3.850
Rmerge	0.146	0.058	0.523
Rmeas	0.157	0.063	0.558
Rpim	0.055	0.023	0.192
Number of reflections	22116	2351	2161
<I/σ(I)>	4.3
Completeness [%]	99.8	98.5	100
Redundancy	7.9	7.2	8.3
CC(1/2)		0.998	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	SOKALAN CP42