11NQ

Crystal structure of viral OTU domain protease from Songling Virus

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	2022-12-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9718
Spacegroup name	P 21 21 21
Unit cell lengths	49.765, 52.674, 61.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.240 - 1.220
R-factor	0.1308
Rwork	0.129
R-free	0.16310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.324
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	1.240
High resolution limit [Å]	1.220	3.310	1.220
Rmerge	0.055	0.045	0.225
Rmeas	0.060	0.049	0.254
Rpim	0.022	0.018	0.115
Total number of observations	323105
Number of reflections	47281	2648	1735
<I/σ(I)>	8.5
Completeness [%]	96.2	99.4	71.9
Redundancy	3.6	3.9	2.4
CC(1/2)	0.994	0.997	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		273	0.2 M Calcium acetate, 18% PEGs 3350, 0.1M Yttrium (III) chloride hexahydrate