8YX3

Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P28

This is a non-PDB format compatible entry.

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	2023-10-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.310, 95.440, 145.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.850 - 2.600
R-factor	0.209
Rwork	0.205
R-free	0.27470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cjm
RMSD bond length	0.013
RMSD bond angle	1.289
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]	79.850	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	26569	2570
<I/σ(I)>	10.61	3.66
Completeness [%]	99.1	98.6
Redundancy	2	2
CC(1/2)	0.999	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	298	0.03 M Citric acid, 0.07 M BIS-TRIS propane)/pH 7.6, 20% w/v PEG 3350