7ULT

Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer Apo-Form.

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	2021-10-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.12723
Spacegroup name	P 32 2 1
Unit cell lengths	166.681, 166.681, 98.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.900 - 1.900
R-factor	0.1656
Rwork	0.164
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w4h
RMSD bond length	0.005
RMSD bond angle	1.325
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	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.130	1.403
Rmeas	0.137
Rpim	0.041	0.458
Number of reflections	123235	5985
<I/σ(I)>	19.1	1.8
Completeness [%]	99.7	97.8
Redundancy	11.1	10
CC(1/2)	0.998	0.577

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 , 5% Glycerol; Screen: ComPAS (F10), 0.4M Potassium/Sodium tartrate.