7H3F

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 Z56960214 (A71EV2A-x0379)

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	2023-10-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.94055
Spacegroup name	C 1 2 1
Unit cell lengths	86.640, 56.440, 32.520
Unit cell angles	90.00, 95.07, 90.00

Refinement procedure

Resolution	47.240 - 1.760
R-factor	0.29458
Rwork	0.291
R-free	0.35938
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.624
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]	47.240	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.296	2.383
Rmeas	0.324	2.588
Rpim	0.129	0.997
Total number of observations	96040	7505
Number of reflections	15061	1148
<I/σ(I)>	4.3	0.7
Completeness [%]	96.8
Redundancy	6.4	6.5
CC(1/2)	0.985	0.346

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