6DWX

Crystal structure of SeMet phased viral OTU domain protease from Qalyub virus

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	2017-03-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	110.587, 110.587, 106.211
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.301 - 2.395
R-factor	0.1753
Rwork	0.174
R-free	0.19480
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.825
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	2.440
High resolution limit [Å]	2.395	2.395
Number of reflections	29866	2883
<I/σ(I)>	80.65	29.9
Completeness [%]	100.0
Redundancy	14.9
CC(1/2)	0.990	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.3 M magnesium acetate, 16% PEG 3350