9EMJ

SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog)

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	2023-05-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033210
Spacegroup name	P 31 2 1
Unit cell lengths	168.700, 168.700, 52.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.420 - 1.790
R-factor	0.1813
Rwork	0.181
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.187
Data reduction software	XDS (1.20.1_4487)
Data scaling software	XDS (1.20.1_4487)
Phasing software	PHENIX (1.19.2-4158)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.420	1.854
High resolution limit [Å]	1.790	1.790
Rmerge	0.170	2.292
Rmeas	0.178	2.391
Rpim	0.051	0.678
Number of reflections	79674	7889
<I/σ(I)>	9.22
Completeness [%]	99.2	98.38
Redundancy	11.8	12.1
CC(1/2)	0.998	0.427

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