6YZ1

The crystal structure of SARS-CoV-2 nsp10-nsp16 methyltransferase complex with Sinefungin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-30
Detector	Bruker PHOTON II
Wavelength(s)	1.318
Spacegroup name	P 31 2 1
Unit cell lengths	168.490, 168.490, 52.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.639 - 2.400
R-factor	0.1886
Rwork	0.187
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w4h
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1-15.2-3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.070	49.070	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.408	0.121	2.301
Rmeas	0.416	0.123	2.355
Rpim	0.080	0.020	0.500
Total number of observations	880812	27827	73565
Number of reflections	33390	691	3489
<I/σ(I)>	12.8	57.6	1.6
Completeness [%]	100.0	99.4	100
Redundancy	26.4	40.3	21.1
CC(1/2)	0.988	0.959	0.587

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	300 nl protein: 150 nl well solution 100 mM MES pH 6.5, 200 mM NaCl, 10% w/v PEG 4000