7HZ3

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-0035380-001 (A71EV2A-x4461)

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	2024-12-13
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92201
Spacegroup name	C 1 2 1
Unit cell lengths	73.343, 61.936, 32.795
Unit cell angles	90.00, 92.76, 90.00

Refinement procedure

Resolution	47.300 - 1.754
R-factor	0.2215
Rwork	0.219
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.930
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]	47.300	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.186	1.622
Rmeas	0.203	1.839
Rpim	0.081	0.839
Total number of observations	88800	9614
Number of reflections	14605	2127
<I/σ(I)>	6.1	0.9
Completeness [%]	99.1
Redundancy	6.1	4.5
CC(1/2)	0.990	0.415

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