8FWO

Crystal structure of SARS-CoV-2 papain-like protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRUS BEAMLINE MANACA
Synchrotron site	LNLS SIRUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977
Spacegroup name	P 32 2 1
Unit cell lengths	83.005, 83.005, 133.964
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.650 - 1.800
R-factor	0.183
Rwork	0.181
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cmd
RMSD bond length	0.016
RMSD bond angle	1.401
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.650	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	50140	4920
<I/σ(I)>	12.75
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	100 mM Sodium acetate, 0.8 M Monosodium phosphate, 1.2 M Dipotassium hydrogen phosphate