7HVU

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-0032503-001 (A71EV2A-x3606)

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	2024-11-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92201
Spacegroup name	C 1 2 1
Unit cell lengths	86.908, 57.558, 64.920
Unit cell angles	90.00, 94.61, 90.00

Refinement procedure

Resolution	20.920 - 1.429
R-factor	0.2023
Rwork	0.202
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.020
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]	43.310	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.105	1.930
Rmeas	0.115	2.178
Rpim	0.046	0.995
Total number of observations	377329	13060
Number of reflections	58969	2822
<I/σ(I)>	10.2	0.4
Completeness [%]	99.8
Redundancy	6.4	4.6
CC(1/2)	0.960	0.365

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