7HYV

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-0036272-001 (A71EV2A-x4423)

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	2024-12-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92199
Spacegroup name	C 1 2 1
Unit cell lengths	87.940, 58.032, 32.714
Unit cell angles	90.00, 92.38, 90.00

Refinement procedure

Resolution	48.420 - 1.660
R-factor	0.208
Rwork	0.206
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.930
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]	48.400	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.072	4.507
Rmeas	0.078	4.858
Rpim	0.029	1.803
Total number of observations	134644	6555
Number of reflections	19312	926
<I/σ(I)>	14.5	0.4
Completeness [%]	99.2
Redundancy	7	7.1
CC(1/2)	0.997	0.334

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