6S92

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-21
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.9677
Spacegroup name	C 2 2 21
Unit cell lengths	31.270, 60.400, 85.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.205 - 1.930
R-factor	0.2063
Rwork	0.204
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s95
RMSD bond length	0.007
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.040	1.999
High resolution limit [Å]	1.930	1.930
Rmerge	0.049
Rmeas	0.053
Rpim	0.020
Number of reflections	43075	6516
<I/σ(I)>	22.8
Completeness [%]	99.5	99.53
Redundancy	6.6
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	LiSO4, TRIS, PEG 4000