8OV3

SARS-CoV-2 nsp10-16 methyltransferase in complex with 5-Iodotubercidin

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	2023-02-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033200
Spacegroup name	P 31 2 1
Unit cell lengths	167.010, 167.010, 51.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.210 - 1.820
R-factor	0.1823
Rwork	0.182
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.180
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]	48.210	1.885
High resolution limit [Å]	1.820	1.820
Rmerge	0.168	2.111
Rmeas	0.179	2.244
Rpim	0.061	0.758
Number of reflections	72530	7171
<I/σ(I)>	7.33	0.66
Completeness [%]	98.4	98.31
Redundancy	8.3	8.5
CC(1/2)	0.996	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	400 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid