7I7R

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-0038576-001 (A71EV2A-x5283)

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	2025-02-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92204
Spacegroup name	C 1 2 1
Unit cell lengths	72.470, 61.603, 65.381
Unit cell angles	90.00, 92.82, 90.00

Refinement procedure

Resolution	16.800 - 1.150
R-factor	0.1681
Rwork	0.168
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.110
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]	32.640	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.048	0.373
Rmeas	0.052	0.527
Rpim	0.021	0.373
Total number of observations	408842	293
Number of reflections	78202	291
<I/σ(I)>	19.4	0.7
Completeness [%]	76.9
Redundancy	5.2	1
CC(1/2)	0.999	0.573

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