8GOT

Crystal structure of wild-type protease 3C from Seneca Valley Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9788
Spacegroup name	P 21 21 21
Unit cell lengths	47.303, 69.496, 75.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.086 - 1.989
R-factor	0.2151
Rwork	0.213
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l0t
RMSD bond length	0.007
RMSD bond angle	0.919
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	1.989	1.990
Rmerge	0.130	0.752
Rmeas	0.130	0.766
Rpim	0.060
Number of reflections	25880	4279
<I/σ(I)>	17	1.8
Completeness [%]	100.0	99.7
Redundancy	35.9	20.8
CC(1/2)	1.000	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 3350, 1% (w/v) tryptone, 0.05% (w/v) sodium azide