6S93

Crystal structure of group B of Usutu virus envelope protein domain III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972
Spacegroup name	P 2 21 21
Unit cell lengths	47.060, 55.530, 128.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.063 - 1.670
R-factor	0.1991
Rwork	0.198
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s95
RMSD bond length	0.006
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.236	47.063	1.760
High resolution limit [Å]	1.670	5.280	1.670
Rmerge		0.078	0.505
Rmeas	0.115	0.090	0.573
Rpim	0.055	0.043	0.265
Total number of observations	170286	5974	25460
Number of reflections	39319	1392	5687
<I/σ(I)>	8.1	15.3	2.4
Completeness [%]	98.7	98.9	99.2
Redundancy	4.3	4.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	Na3 Cit, NH4 Acet, PEG 4000