7HWL

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-0034398-001 (A71EV2A-x3956)

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	86.652, 57.209, 64.740
Unit cell angles	90.00, 94.91, 90.00

Refinement procedure

Resolution	47.690 - 1.306
R-factor	0.1768
Rwork	0.176
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.060
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]	47.690	1.380
High resolution limit [Å]	1.310	1.310
Rmerge	0.059	0.665
Rmeas	0.067	0.838
Rpim	0.032	0.498
Total number of observations	274115	16748
Number of reflections	70008	6651
<I/σ(I)>	13.6	2.1
Completeness [%]	91.7
Redundancy	3.9	2.5
CC(1/2)	0.995	0.541

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