11NS

Crystal Structure of viral OTU domain protease from Pacific coast tick nairovirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-29
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 41
Unit cell lengths	70.712, 70.712, 82.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 1.580
R-factor	0.173
Rwork	0.172
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.307
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmerge	0.062	0.054	0.334
Rmeas	0.067	0.058	0.361
Rpim	0.025	0.021	0.134
Total number of observations	403548
Number of reflections	55143	2838	2563
<I/σ(I)>	12.2
Completeness [%]	99.6	99.6	93
Redundancy	7.3	7.6	7
CC(1/2)	1.000	0.997	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.7 M Sodium Sulfate at pH 5.0, 0.37 M Sodium acetate, 0.15 mM CYMAL-7