9FGO

Crystal structure of Enterovirus 71 2A protease mutant C110A containing VP1-2A junction in the active site

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	2024-05-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9763
Spacegroup name	P 61
Unit cell lengths	61.544, 61.544, 78.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.690 - 1.430
R-factor	0.15203
Rwork	0.151
R-free	0.16478
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.882
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.690	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.056	0.726
Rmeas	0.057	0.773
Rpim	0.013	0.262
Total number of observations		12681
Number of reflections	31516	1500
<I/σ(I)>	30.2	3
Completeness [%]	99.8
Redundancy	18.8	8.5
CC(1/2)	1.000	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.1M Sodium chloride, 15% ethanol