8B52

Usutu virus methyltransferase domain in complex with sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	75
Detector technology	PIXEL
Collection date	2020-10-08
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00498
Spacegroup name	P 21 21 21
Unit cell lengths	53.294, 95.643, 110.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.300 - 2.220
R-factor	0.2668
Rwork	0.266
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k6m
RMSD bond length	0.009
RMSD bond angle	0.913
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.300	2.450
High resolution limit [Å]	2.210	2.210
Rmerge	0.273
Number of reflections	20136	1008
<I/σ(I)>	4.2
Completeness [%]	91.8
Redundancy	6.3
CC(1/2)	0.986	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES pH6.5, 12% PEG20.000