9EML

SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM 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	2022-10-24
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033220
Spacegroup name	P 31 2 1
Unit cell lengths	167.740, 167.740, 52.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.070 - 2.400
R-factor	0.1793
Rwork	0.178
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.296
Data reduction software	XDS (1.20.1_4487)
Data scaling software	XDS (1.20.1_4487)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.070	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.316	2.637
Rmeas	0.337	2.851
Rpim	0.117	1.073
Number of reflections	33107	3298
<I/σ(I)>	6.15	0.66
Completeness [%]	99.9	99.58
Redundancy	8.1	6.9
CC(1/2)	0.988	0.232

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