8BSD

SARS-CoV-2 nsp10-16 methyltransferase in complex with tubercidin

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	2022-10-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033220
Spacegroup name	P 31 2 1
Unit cell lengths	167.470, 167.470, 51.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.540 - 1.950
R-factor	0.1807
Rwork	0.180
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.220
Data reduction software	XDS (1.07)
Data scaling software	XDS (1.07)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.540	2.020
High resolution limit [Å]	1.850	1.950
Rmerge	0.064
Rmeas	0.090
Rpim	0.064
Number of reflections	69888	5975
<I/σ(I)>	8.3
Completeness [%]	98.9	99.87
Redundancy	2	2
CC(1/2)	0.997	0.369

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