8Y2U

Crystal structure of 3C protease from coxsackievirus B4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	39.099, 64.426, 67.991
Unit cell angles	90.00, 92.47, 90.00

Refinement procedure

Resolution	39.060 - 2.010
R-factor	0.199460869013
Rwork	0.197
R-free	0.24414
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.947
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]	67.930	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.294	1.639
Number of reflections	22518	1662
<I/σ(I)>	5.9
Completeness [%]	99.7
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.16 M Magnesium chloride hexahydrate 0.08 M TRIS hydrochloride pH 8.5 24% w/v Polyethylene glycol 4000 20% v/v Glycerol