8BZV

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

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	2021-12-03
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033200
Spacegroup name	P 31 2 1
Unit cell lengths	167.320, 167.320, 51.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.000 - 1.800
R-factor	0.1778
Rwork	0.178
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.195
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]	42.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.132	0.186
Rmeas	0.150	0.211
Number of reflections	149557	11072
<I/σ(I)>	6.64	0.51
Completeness [%]	99.9	100
Redundancy	4.47	4.55
CC(1/2)	0.996	0.236

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	800 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid