8CNY

Structure of Enterovirus A71 3C protease

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	2022-12-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.92124
Spacegroup name	C 2 2 21
Unit cell lengths	64.900, 65.730, 76.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.865 - 1.510
Rwork	0.179
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.528
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.166	1.452
High resolution limit [Å]	1.341	1.341
Rmerge	0.075
Number of reflections	28216	1411
<I/σ(I)>	18.2	1.9
Completeness [%]	76.6
Redundancy	7.8
CC(1/2)	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M MgCl2.6H2O 0.1 M Tris.HCl 30% PEG 4,000