8C5M

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

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	2021-12-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976200
Spacegroup name	P 31 2 1
Unit cell lengths	166.955, 166.955, 51.394
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.430 - 1.900
R-factor	0.1839
Rwork	0.184
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.033
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]	48.430	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.153	1.755
Rmeas	0.158	1.810
Rpim	0.038	0.439
Number of reflections	64765	6253
<I/σ(I)>	13.34	1.36
Completeness [%]	99.6	97.27
Redundancy	17.2	17
CC(1/2)	0.999	0.645

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