7HW8

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-0032823-001 (A71EV2A-x3884)

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	72.500, 61.500, 65.140
Unit cell angles	90.00, 93.08, 90.00

Refinement procedure

Resolution	36.200 - 1.380
R-factor	0.1912
Rwork	0.190
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.100
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]	36.200	1.420
High resolution limit [Å]	1.380	1.380
Rmerge	0.096	1.535
Rmeas	0.104	1.736
Rpim	0.040	0.796
Total number of observations	356982	17153
Number of reflections	56188	3761
<I/σ(I)>	10	1
Completeness [%]	95.8
Redundancy	6.4	4.6
CC(1/2)	0.998	0.353

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