7H4N

Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z19733482 (A71EV2A-x0922)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.94054
Spacegroup name	C 1 2 1
Unit cell lengths	84.790, 56.192, 32.221
Unit cell angles	90.00, 95.21, 90.00

Refinement procedure

Resolution	46.780 - 1.500
R-factor	0.19441
Rwork	0.192
R-free	0.24016
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.448
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]	46.780	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.145	2.470
Rmeas	0.158	2.696
Rpim	0.061	1.062
Total number of observations	148367	21384
Number of reflections	23264	3426
<I/σ(I)>	7.4	1.2
Completeness [%]	96.5
Redundancy	6.4	6.2
CC(1/2)	0.993	0.382

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