8OSX

SARS-CoV-2 nsp10-16 methyltransferase in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033210
Spacegroup name	P 31 2 1
Unit cell lengths	168.020, 168.020, 51.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.140 - 1.830
R-factor	0.1977
Rwork	0.197
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.002
Data reduction software	XDS (1.20.1_4487)
Data scaling software	XDS (1.20.1_4487)
Refinement software	PHENIX (1.07)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.140	1.895
High resolution limit [Å]	1.830	1.830
Rmerge	0.195	3.118
Rmeas	0.208	3.324
Number of reflections	73616	7157
<I/σ(I)>	6.85	0.27
Completeness [%]	99.5	97.77
Redundancy	8.2	8.4
CC(1/2)	0.996	0.180

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	900 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid