7I5V

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-0036446-001 (A71EV2A-x4882)

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	2025-01-22
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92202
Spacegroup name	C 1 2 1
Unit cell lengths	72.744, 61.713, 65.445
Unit cell angles	90.00, 92.83, 90.00

Refinement procedure

Resolution	20.020 - 1.380
R-factor	0.1929
Rwork	0.192
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.000
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]	32.690	1.400
High resolution limit [Å]	1.380	1.380
Rmerge	0.101	1.579
Rmeas	0.110	1.812
Rpim	0.042	0.873
Total number of observations	365939	11445
Number of reflections	58736	2723
<I/σ(I)>	7.4	0.3
Completeness [%]	98.9
Redundancy	6.2	4.2
CC(1/2)	0.998	0.337

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