6AE7

Crystals structure of Classical swine fever virus NS5B (residues 1-672, E472A 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	I 41 2 2
Unit cell lengths	116.892, 116.892, 394.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.451 - 3.800
R-factor	0.2135
Rwork	0.212
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cjq
RMSD bond length	0.003
RMSD bond angle	0.589
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	3.940
High resolution limit [Å]	3.800	8.180	3.800
Rmerge	0.144	0.047	0.503
Rmeas	0.151	0.050	0.526
Rpim	0.045	0.016	0.153
Number of reflections	14040	1524	1364
<I/σ(I)>	6.7
Completeness [%]	99.8	98.9	99.9
Redundancy	11.2	9.7	11.6
CC(1/2)		0.999	0.987

Crystallization Conditions

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