7HWE

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-0032727-001 (A71EV2A-x3920)

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	2024-11-22
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92203
Spacegroup name	C 1 2 1
Unit cell lengths	72.993, 61.542, 32.704
Unit cell angles	90.00, 92.22, 90.00

Refinement procedure

Resolution	36.470 - 2.112
R-factor	0.2175
Rwork	0.214
R-free	0.29710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
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]	36.470	2.230
High resolution limit [Å]	2.110	2.110
Rmerge	0.204	1.516
Rmeas	0.224	1.694
Rpim	0.090	0.742
Total number of observations	50323	5953
Number of reflections	8375	1205
<I/σ(I)>	7.3	1.5
Completeness [%]	99.9
Redundancy	6	4.9
CC(1/2)	0.989	0.456

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