8S8X

SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA)

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	2023-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033220
Spacegroup name	P 31 2 1
Unit cell lengths	168.110, 168.110, 52.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.060 - 1.990
R-factor	0.1898
Rwork	0.189
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.306
Data reduction software	XDS (1.20.1_4487)
Data scaling software	XDS (1.20.1_4487)
Phasing software	PHENIX (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.331	3.205
Rmeas	0.346	3.346
Rpim	0.100	0.959
Number of reflections	113051	16215
<I/σ(I)>	4.64	0.14
Completeness [%]	97.5	82.31
Redundancy	11.9	12
CC(1/2)	0.993	0.271

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