7I4L

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-0036671-001 (A71EV2A-x4712)

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	2025-01-17
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92201
Spacegroup name	C 1 2 1
Unit cell lengths	87.993, 58.157, 32.739
Unit cell angles	90.00, 93.17, 90.00

Refinement procedure

Resolution	17.780 - 1.470
R-factor	0.2039
Rwork	0.202
R-free	0.23180
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]	48.480	1.490
High resolution limit [Å]	1.470	1.470
Rmerge	0.076	1.831
Rmeas	0.082	2.048
Rpim	0.031	0.900
Total number of observations	184693	6825
Number of reflections	27890	1340
<I/σ(I)>	12.7	0.4
Completeness [%]	99.3
Redundancy	6.6	5.1
CC(1/2)	0.998	0.251

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