5W8T

Crystal structure of MERS-CoV papain-like protease in complex with the C-terminal domain of human ISG15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-01
Detector	RAYONIX MX300-HS
Wavelength(s)	1.2837
Spacegroup name	P 43
Unit cell lengths	86.342, 86.342, 223.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.232 - 2.758
R-factor	0.189
Rwork	0.187
R-free	0.22370
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	0.778
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.810
High resolution limit [Å]	2.758	2.758
Number of reflections	41920
<I/σ(I)>	24.1	1.5
Completeness [%]	99.7
Redundancy	8.5
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM CaCl2, 100 mM NaO2C2H3 pH 4.6, 28% (v/v) MPD