7I59

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-0036755-001 (A71EV2A-x4806)

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	2025-01-17
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92201
Spacegroup name	C 1 2 1
Unit cell lengths	72.210, 61.650, 65.160
Unit cell angles	90.00, 93.14, 90.00

Refinement procedure

Resolution	36.050 - 1.940
R-factor	0.214
Rwork	0.211
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
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]	36.050	1.990
High resolution limit [Å]	1.940	1.940
Rmerge	0.113	0.900
Rmeas	0.127	1.237
Rpim	0.056	0.843
Total number of observations	76549	1417
Number of reflections	19757	1113
<I/σ(I)>	7.1	0.6
Completeness [%]	92.8
Redundancy	3.9	1.3
CC(1/2)	0.995	0.288

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