6L5T

The crystal structure of SADS-CoV Papain Like protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-01-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	34.231, 68.511, 104.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.260 - 1.720
R-factor	0.1809
Rwork	0.179
R-free	0.21160
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.510	1.720
High resolution limit [Å]	1.720	1.720
Rmerge	0.116	1.636
Rmeas	0.121	1.705
Rpim	0.034	0.663
Number of reflections	26961	1362
<I/σ(I)>	16.7	1.7
Completeness [%]	100.0	99.5
Redundancy	12.8	12.5
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	300	0.1M MES (PH6.5), 0.1M CaCl2, 16% PEG 20000