9FS7

Coxsackievirus A16 3C protease in C2 2 21 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 2 2 21
Unit cell lengths	64.360, 65.170, 76.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.236 - 1.370
Rwork	0.151
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.815
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]	39.240	1.390
High resolution limit [Å]	1.370	1.370
Number of reflections	25094	323
<I/σ(I)>	20.2
Completeness [%]	73.9
Redundancy	10.5
CC(1/2)	0.999	0.264

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Shotgun1 well A01 0.2M Magnesium chloride hexahydrate, 0.1M Tris pH 8.5, 30% w/v PEG 4000,