6DX1

Crystal structure of the 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	2017-02-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	110.471, 110.471, 106.229
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.285 - 1.652
R-factor	0.1719
Rwork	0.171
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dwx
RMSD bond length	0.006
RMSD bond angle	0.757
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	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	89730	8842
<I/σ(I)>	21.6	1.8
Completeness [%]	100.0
Redundancy	9.3
CC(1/2)	0.990	0.719

Crystallization Conditions

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