7I6X

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-0037763-001 (A71EV2A-x5073)

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	2025-02-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92205
Spacegroup name	C 1 2 1
Unit cell lengths	87.944, 58.244, 32.692
Unit cell angles	90.00, 92.41, 90.00

Refinement procedure

Resolution	48.550 - 1.840
R-factor	0.2059
Rwork	0.204
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.910
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]	48.540	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.133	2.345
Rmeas	0.144	2.527
Rpim	0.054	0.935
Total number of observations	100626	6469
Number of reflections	14412	898
<I/σ(I)>	9.7	0.6
Completeness [%]	100.0
Redundancy	7	7.2
CC(1/2)	0.998	0.305

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