7HWW

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-0034494-001 (A71EV2A-x3993)

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	72.538, 61.640, 65.306
Unit cell angles	90.00, 92.99, 90.00

Refinement procedure

Resolution	32.610 - 1.600
R-factor	0.2223
Rwork	0.222
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.970
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]	32.610	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.240	2.431
Rmeas	0.260	2.643
Rpim	0.099	1.023
Total number of observations	261179	11787
Number of reflections	37072	1790
<I/σ(I)>	4.5	0.4
Completeness [%]	97.6
Redundancy	7	6.6
CC(1/2)	0.966	0.293

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