7HWQ

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-0034425-001 (A71EV2A-x3981)

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	87.327, 58.618, 32.701
Unit cell angles	90.00, 93.25, 90.00

Refinement procedure

Resolution	48.650 - 1.530
R-factor	0.2274
Rwork	0.225
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.050
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]	48.630	1.560
High resolution limit [Å]	1.530	1.530
Rmerge	0.089	2.276
Rmeas	0.097	2.507
Rpim	0.037	1.032
Total number of observations	167469	6936
Number of reflections	24264	1214
<I/σ(I)>	10.1	0.3
Completeness [%]	97.5
Redundancy	6.9	5.7
CC(1/2)	0.998	0.342

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