6WKQ

1.98 Angstrom Resolution Crystal Structure of NSP16-NSP10 Heterodimer from SARS-CoV-2 in Complex with Sinefungin

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	166.247, 166.247, 98.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.922 - 1.980
Rwork	0.162
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w75
RMSD bond length	0.004
RMSD bond angle	1.342
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	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.071	0.784
Rmeas	0.078	0.874
Rpim	0.033	0.384
Number of reflections	108598	5383
<I/σ(I)>	22.2	2
Completeness [%]	100.0	100
Redundancy	5.5	5.2
CC(1/2)		0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	5.3 mg/mL 1:1 nsp10/nsp16 in 0.15 M sodium chloride, 0.01 M Tris, pH 7.5, 2 mM SAM, 1 mM TCEP, 5% glycerol against ComPAS screen F10 (0.4 M potassium/sodium tartrate), soak and cryoprotection: 5 mM SFG, 4 M sodium formate, 3 hrs