7ORV

Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9788
Spacegroup name	I 21 3
Unit cell lengths	107.236, 107.236, 107.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.660 - 1.950
R-factor	0.1719
Rwork	0.170
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zpe
RMSD bond length	0.005
RMSD bond angle	1.335
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.660	28.660	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.072	0.047	1.015
Rmeas	0.077	0.051	1.068
Rpim	0.024	0.019	0.333
Total number of observations		973	10876
Number of reflections	15070	138	1060
<I/σ(I)>	14.8	28.6	1.6
Completeness [%]	99.8	80.1	100
Redundancy	9.9	7.1	10.3
CC(1/2)	0.999	0.997	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	Protein - 63 mg/mL in 50 mM Tris/HCl pH 8.0, 150 mM NaCl; precipitant (reservoir) - 0.1 M Bis-Tris/HCl pH 6.7, 2.4 M NaCl; 1:1, 1:2, 2:1 protein-to-precipitant ratios, 300 nL total drop volume. Soaking: reservoir solution, supplemented to 50 mM ligand, 5% (v/v) DMSO, 15% (v/v) glycerol; 2 h, 293K.