8OTO

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976200
Spacegroup name	P 31 2 1
Unit cell lengths	167.860, 167.860, 51.592
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.070 - 1.800
R-factor	0.1755
Rwork	0.175
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.165
Data reduction software	XDS (1.20.1_4487)
Data scaling software	XDS (1.20.1_4487)
Phasing software	PHENIX (1.07)
Refinement software	PHENIX (1.07)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.070	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.034	0.921
Rmeas	0.047	1.303
Rpim	0.034	0.921
Number of reflections	77178	7540
<I/σ(I)>	12.65	0.76
Completeness [%]	99.8	98.51
Redundancy	2	2
CC(1/2)	0.999	0.418

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