7L6R

Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.54980
Spacegroup name	P 31 2 1
Unit cell lengths	168.757, 168.757, 52.272
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.950 - 1.980
R-factor	0.1512
Rwork	0.150
R-free	0.16640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w4h
RMSD bond length	0.005
RMSD bond angle	1.272
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.095	1.203
Rmeas	0.101	1.273
Rpim	0.032	0.411
Number of reflections	59455	2968
<I/σ(I)>	31.2	2
Completeness [%]	100.0	100
Redundancy	9.8	9.3
CC(1/2)	0.997	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	292	Protein: 3.0 mg/ml (nsp10/nsp16 1:1), 0.15M Sodium chloride, 0.01M Tris pH 7.5 , 2mM SAM, 1mM TCEP, 5% Glycerol; Screen: Ammonium sulfate (E2), 0.1M Citric acid pH 5.0, 0.8M Ammonium sulfate; Soak: 6hours, 0.2mM m7GpppAUUAAA, 5mM SAM, 20mM Manganese chloride in screen solution; Cryo: 25% Sucrose in screen solution.