9HHI

A rare open conformation for Ubl2 domain of papain-like protease without zinc of SARS-CoV2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-04
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.282
Spacegroup name	P 21 21 2
Unit cell lengths	99.720, 106.756, 71.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.870 - 2.700
R-factor	0.2264
Rwork	0.224
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.412
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.870	2.590
High resolution limit [Å]	2.290	2.290
Rmeas	0.232
Number of reflections	24306	1215
<I/σ(I)>	9.6	1.5
Completeness [%]	69.4
Redundancy	13.4
CC(1/2)	0.997	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	1.45 M Ammonium Sulfate, 0.1 M Bicine pH 8, 10 % Glycerol