7HZQ

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-0031746-001 (A71EV2A-x3186)

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	2024-10-08
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92209
Spacegroup name	C 1 2 1
Unit cell lengths	72.918, 61.719, 32.822
Unit cell angles	90.00, 92.94, 90.00

Refinement procedure

Resolution	30.880 - 2.060
R-factor	0.21388
Rwork	0.209
R-free	0.33179
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.571
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.080	2.170
High resolution limit [Å]	2.060	2.060
Rmerge	0.039	0.084
Rmeas	0.042	0.115
Rpim	0.017	0.078
Total number of observations	26677	42
Number of reflections	5078	33
<I/σ(I)>	30.5	3.5
Completeness [%]	55.8
Redundancy	5.3	1.3
CC(1/2)	0.999	0.988

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