8OV2

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

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	168.020, 168.020, 51.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.620 - 1.860
R-factor	0.1776
Rwork	0.177
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.133
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]	48.620	1.927
High resolution limit [Å]	1.860	1.860
Rmerge	0.121	1.603
Rmeas	0.130	1.717
Rpim	0.045	0.608
Number of reflections	70075	6944
<I/σ(I)>	9.75	0.84
Completeness [%]	99.9	100
Redundancy	8.1	7.7
CC(1/2)	0.998	0.433

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