8OT0

SARS-CoV-2 nsp10-16 methyltransferase in complex with MTA and glycine

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)	0.9762
Spacegroup name	P 31 2 1
Unit cell lengths	167.102, 167.102, 51.379
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.770 - 2.210
R-factor	0.1832
Rwork	0.183
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.926
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]	43.770	2.289
High resolution limit [Å]	2.210	2.210
Rmerge	0.076	0.806
Rmeas	0.108
Rpim	0.076	0.806
Number of reflections	41332	4047
<I/σ(I)>	7.36	0.89
Completeness [%]	99.9	99.14
Redundancy	2	2
CC(1/2)	0.995	0.392

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