7ORW

Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265

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	107.771, 107.771, 107.771
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.940 - 1.950
R-factor	0.1761
Rwork	0.174
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zpe
RMSD bond length	0.006
RMSD bond angle	1.313
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]	76.210	76.210	2.000
High resolution limit [Å]	1.950	8.940	1.950
Rmerge	0.075	0.052	1.325
Rmeas	0.080	0.057	1.420
Rpim	0.028	0.022	0.506
Total number of observations	129317	1208	8387
Number of reflections	15364	178	1083
<I/σ(I)>	13.5	31.2	1.5
Completeness [%]	100.0	98.9	100
Redundancy	8.4	6.8	7.7
CC(1/2)	0.998	0.993	0.567

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.