8OV1

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

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 EIGER2 X 16M
Wavelength(s)	0.976200
Spacegroup name	P 31 2 1
Unit cell lengths	167.495, 167.495, 51.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.870 - 1.670
R-factor	0.1739
Rwork	0.174
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.150
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]	43.870	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.035	0.847
Rmeas	0.049	1.198
Rpim	0.035	0.847
Number of reflections	95855	9407
<I/σ(I)>	12.57	0.8
Completeness [%]	99.9	99.04
Redundancy	2	2
CC(1/2)	0.999	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	900 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid