6WQ3

Crystal Structure of Nsp16-Nsp10 Heterodimer from SARS-CoV-2 in Complex with 7-methyl-GpppA and 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	2020-04-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	169.648, 169.648, 52.055
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.310 - 2.100
R-factor	0.1671
Rwork	0.166
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w4h
RMSD bond length	0.005
RMSD bond angle	1.266
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	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.075	0.811
Rmeas	0.081	0.868
Rpim	0.028	0.300
Number of reflections	50035	2464
<I/σ(I)>	21.1	2.3
Completeness [%]	98.8	98.9
Redundancy	7.7	7.8
CC(1/2)	0.995	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	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: Anions (A10), 0.1M MES pH 6.5, 0.6M tri-Sodium citrate; Soak and Cryo: 1mM SAH, 0.5mM GpppA, 2M Lithium sulfate.