7I7U

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-0038553-001 (A71EV2A-x5317)

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	2025-02-25
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92204
Spacegroup name	C 1 2 1
Unit cell lengths	86.886, 57.207, 64.801
Unit cell angles	90.00, 94.60, 90.00

Refinement procedure

Resolution	18.800 - 1.310
R-factor	0.1768
Rwork	0.176
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.060
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]	64.620	1.330
High resolution limit [Å]	1.310	1.310
Rmerge	0.061	0.895
Rmeas	0.066	1.139
Rpim	0.026	0.688
Total number of observations	425970	6684
Number of reflections	73331	2436
<I/σ(I)>	18.7	0.8
Completeness [%]	96.2
Redundancy	5.8	2.7
CC(1/2)	0.999	0.283

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