7H4V

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 Z57663553 (A71EV2A-x1128)

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	2023-12-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.94054
Spacegroup name	C 1 2 1
Unit cell lengths	72.502, 60.488, 32.350
Unit cell angles	90.00, 92.68, 90.00

Refinement procedure

Resolution	46.430 - 1.920
R-factor	0.22429
Rwork	0.223
R-free	0.26084
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.409
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]	46.450	1.960
High resolution limit [Å]	1.920	1.920
Rmerge	0.423	3.945
Rmeas	0.456	4.259
Rpim	0.170	1.588
Total number of observations	76360	4917
Number of reflections	10649	693
<I/σ(I)>	5.6	0.8
Completeness [%]	99.2
Redundancy	7.2	7.1
CC(1/2)	0.978	0.168

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