7I3P

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-0036351-001 (A71EV2A-x4546)

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	2024-12-13
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92201
Spacegroup name	C 1 2 1
Unit cell lengths	73.455, 61.211, 32.696
Unit cell angles	90.00, 93.23, 90.00

Refinement procedure

Resolution	30.610 - 2.123
R-factor	0.1866
Rwork	0.183
R-free	0.25640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.890
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]	30.610	2.240
High resolution limit [Å]	2.120	2.120
Rmerge	0.104	0.328
Rmeas	0.115	0.419
Rpim	0.047	0.254
Total number of observations	25457	281
Number of reflections	5437	160
<I/σ(I)>	7.4	1.1
Completeness [%]	65.6
Redundancy	4.7	1.8
CC(1/2)	0.991	0.843

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