6WJT

2.0 Angstrom Resolution Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with S-Adenosyl-L-Homocysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-04-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	166.917, 166.917, 98.099
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.790 - 2.000
R-factor	0.1721
Rwork	0.171
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w75
RMSD bond length	0.006
RMSD bond angle	1.330
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.101	0.795
Rmeas	0.110	0.866
Rpim	0.044	0.340
Number of reflections	105884	5270
<I/σ(I)>	16.7	3.2
Completeness [%]	100.0	100
Redundancy	6.5	6.6
CC(1/2)		0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Protein: 5.3 mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: ComPAS (F10), 0.4M Potassium/Sodium tartrate; Soak and Cryo: 5mM SAH, 4M Sodium formate, 3 hrs.