6DX3

Crystal structure of the viral OTU domain protease from Taggert 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	2017-10-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	47.163, 60.948, 66.501
Unit cell angles	64.95, 89.84, 84.31

Refinement procedure

Resolution	36.462 - 2.052
R-factor	0.2285
Rwork	0.227
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hxd
RMSD bond length	0.005
RMSD bond angle	0.709
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	2.090
High resolution limit [Å]	2.050	2.050
Number of reflections	40280	3634
<I/σ(I)>	17.3	2.3
Completeness [%]	97.4
Redundancy	3.6
CC(1/2)	0.990	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15 M magnesium formate, 22% PEG 3350, 0.25 M TCEP