7MC9

X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	98.138, 136.873, 193.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.069 - 3.099
R-factor	0.2032
Rwork	0.200
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6noz
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.14)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.069	3.210
High resolution limit [Å]	3.099	3.099
Rmerge		0.849
Rmeas		0.936
Number of reflections	46738	4185
<I/σ(I)>	4.66	1
Completeness [%]	97.2	88.58
Redundancy	6.1	5.6
CC(1/2)	0.972	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.30M MgCl2, 0.1M Tris, and 16% PEG 4k