6S95

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.07227
Spacegroup name	P 21 21 21
Unit cell lengths	47.544, 55.274, 65.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.530 - 1.190
Rwork	0.199
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pjw
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]	42.316	47.544	1.250
High resolution limit [Å]	1.190	3.760	1.190
Rmerge		0.029	0.944
Rmeas	0.048	0.031	1.040
Rpim	0.019	0.013	0.431
Total number of observations	347611	11798	46359
Number of reflections	56305	1964	8115
<I/σ(I)>	18.1	60.2	1.6
Completeness [%]	100.0	99.9	99.9
Redundancy	6.2	6	5.7

Crystallization Conditions

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