8HDA

Crystal structure of Ubl1 (residues 18-111) of SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9285
Spacegroup name	P 21 21 21
Unit cell lengths	45.530, 46.333, 70.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 1.930
Rwork	0.184
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wzo
RMSD bond length	0.009
RMSD bond angle	1.536
Data reduction software	HKL-3000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.810	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.094	0.359
Rpim	0.041	0.222
Number of reflections	11583	693
<I/σ(I)>	10.7	2.7
Completeness [%]	99.3	91.5
Redundancy	6	3.2
CC(1/2)	0.995	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	15% w/v PEG 1500