9EMV

SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)

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	2023-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.826561
Spacegroup name	P 31 2 1
Unit cell lengths	169.510, 169.510, 52.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.480 - 2.340
R-factor	0.2054
Rwork	0.203
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.370
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]	44.480	2.424
High resolution limit [Å]	2.340	2.340
Rmerge	0.391	0.391
Rmeas	0.400	0.400
Rpim	0.082	0.082
Number of reflections	36510	3616
<I/σ(I)>	6.9	0.48
Completeness [%]	99.4	99.39
Redundancy	23.2	23.2
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	400 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid