29MW

Crystal structure of Enterovirus A71 2A protease mutant C110A containing VP1-2A junction in the active site determined via sulfur phasing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	50
Detector technology	PIXEL
Collection date	2026-01-16
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.3776
Spacegroup name	P 61
Unit cell lengths	61.354, 61.354, 78.573
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.130 - 1.220
R-factor	0.1973
Rwork	0.196
R-free	0.21970
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.200
Data reduction software	xia2 (3.25.0)
Data scaling software	DIALS (3.26.0.2)
Phasing software	AutoSol
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.570	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.067	2.859
Rmeas	0.069	2.982
Rpim	0.017	0.841
Number of reflections	49860	2452
<I/σ(I)>	15	0.3
Completeness [%]	100.0	99.8
Redundancy	15.4
CC(1/2)	1.000	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.8 M NaCl, 15 % (v/v) EtOH