8Y2T

Crystal structure of 3C protease from coxsackievirus B3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-09
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	C 1 2 1
Unit cell lengths	78.224, 64.573, 39.743
Unit cell angles	90.00, 115.27, 90.00

Refinement procedure

Resolution	33.760 - 2.100
R-factor	0.206210895511
Rwork	0.204
R-free	0.25078
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	2.240
High resolution limit [Å]	2.100	2.100
Rmerge	0.041	0.263
Number of reflections	9502	1509
<I/σ(I)>	11.4
Completeness [%]	90.6
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350