6S94

Crystal structure of group D 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	2018-09-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97242
Spacegroup name	P 21 21 21
Unit cell lengths	30.330, 66.432, 88.073
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.700 - 1.790
Rwork	0.212
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s95
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]	53.036	36.705	1.890
High resolution limit [Å]	1.790	5.660	1.790
Rmerge		0.030	0.406
Rmeas	0.060	0.034	0.456
Rpim	0.026	0.015	0.202
Total number of observations	83419	2657	11896
Number of reflections	17355	628	2466
<I/σ(I)>	16.2	31.7	3.6
Completeness [%]	99.5	98.3	99.3
Redundancy	4.8	4.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	NH4 Acet, MES, PEG 8000