8OTR

SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM analog BDH 33959089

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	2021-10-10
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.033150
Spacegroup name	P 31 2 1
Unit cell lengths	167.600, 167.600, 51.480
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.990 - 1.770
R-factor	0.1882
Rwork	0.188
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.961
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]	41.990	1.833
High resolution limit [Å]	1.770	1.770
Rmerge	0.056	2.541
Rmeas	0.079	3.594
Rpim	0.056	2.541
Number of reflections	80684	7847
<I/σ(I)>	8.41	0.27
Completeness [%]	99.8	98.26
Redundancy	2	2
CC(1/2)	0.998	0.158

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	900 mM sodium fluoride, 100 mM 2-(N-morpholino)ethanesulfonic acid