9FWC

Coxsackievirus B3 3C protease in C121 spacegroup

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-12
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9212
Spacegroup name	C 1 2 1
Unit cell lengths	78.503, 64.871, 39.430
Unit cell angles	90.00, 115.87, 90.00

Refinement procedure

Resolution	47.778 - 1.340
Rwork	0.154
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.199
Data reduction software	xia2
Data scaling software	xia2
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.780	1.360
High resolution limit [Å]	1.340	1.340
Number of reflections	26456	100
<I/σ(I)>	29.2
Completeness [%]	66.3
Redundancy	5.6
CC(1/2)	0.992	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	ShotGun1 Eco 0.2 Magnesium chloride hexahydrate 0.1 M Tris, pH 8.5 30% w/v PEG4000