7HW5

Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032759-001 (A71EV2A-x3867)

This is a non-PDB format compatible entry.

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	2024-11-16
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92202
Spacegroup name	C 1 2 1
Unit cell lengths	73.158, 60.843, 32.639
Unit cell angles	90.00, 92.78, 90.00

Refinement procedure

Resolution	16.860 - 1.409
R-factor	0.187
Rwork	0.186
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (23-JAN-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	1.490
High resolution limit [Å]	1.410	1.410
Rmerge	0.061	1.039
Rmeas	0.067	1.181
Rpim	0.026	0.544
Total number of observations	175256	18527
Number of reflections	27625	4018
<I/σ(I)>	12.4	1.2
Completeness [%]	100.0
Redundancy	6.3	4.6
CC(1/2)	0.999	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.05	293.15	0.1 M MES, pH 6.05, 16 % PEG 20,000