9VWY

Crystal structure of C270S mutant of Papain-like protease (PLpro) from SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2+ 70 kV
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-03
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	1.3477
Spacegroup name	P 32 2 1
Unit cell lengths	81.838, 81.838, 135.256
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.040 - 1.830
R-factor	0.1742
Rwork	0.173
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.724
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.800	1.800
Number of reflections	46810	14000
<I/σ(I)>	21
Completeness [%]	99.4
Redundancy	8.86
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Tris buffer pH 8.0, Sodium dihydrogen phosphate/Potassium hydrogen phosphate