9EUN

SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP

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	167.550, 167.550, 52.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.990 - 2.330
R-factor	0.1895
Rwork	0.187
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.200
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]	48.990	2.390
High resolution limit [Å]	2.330	2.330
Rmerge	0.404	3.338
Rmeas	0.422	3.500
Rpim	0.121	1.046
Number of reflections	69857	5368
<I/σ(I)>	4.62	0.35
Completeness [%]	99.9	99.93
Redundancy	12	11
CC(1/2)	0.989	0.202

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