7D7K

The crystal structure of SARS-CoV-2 papain-like protease in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	115.999, 115.999, 254.193
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.280 - 1.900
R-factor	0.1835
Rwork	0.183
R-free	0.20740
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.280	49.280	1.950
High resolution limit [Å]	1.900	8.480	1.900
Rmerge	0.128	0.028	3.853
Rmeas	0.130	0.028	3.901
Total number of observations	3132886
Number of reflections	79593	1009	5697
<I/σ(I)>	25.84	104.42	1.66
Completeness [%]	98.8	93.6	97.7
Redundancy	39.361	30.239	40.079
CC(1/2)	1.000	1.000	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	293	0.1M Tris pH 8.0, 2.0M Ammonium sulfate, 0.033% w/v Caffeine, 0.033% w/v Dithioerythritol, 0.033% w/v L-Methionine