8S8W

SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin 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 EIGER2 X 16M
Wavelength(s)	1.033220
Spacegroup name	P 31 2 1
Unit cell lengths	167.140, 167.140, 51.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.800 - 2.100
R-factor	0.1878
Rwork	0.187
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.213
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]	48.800	2.190
High resolution limit [Å]	2.099	2.100
Rmerge	0.253	3.550
Rmeas	0.264	3.708
Rpim	0.076	1.064
Number of reflections	94499	11830
<I/σ(I)>	6.88	0.45
Completeness [%]	99.8	99.75
Redundancy	11.9	11.9
CC(1/2)	0.996	0.227

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