9AX9

Crystal Structure of Enterovirus 68 3C Protease C147A Mutant with 3B3C peptide at 2.00 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	39.784, 103.343, 43.213
Unit cell angles	90.00, 110.80, 90.00

Refinement procedure

Resolution	30.190 - 2.000
R-factor	0.1833
Rwork	0.181
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.482
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.830	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.029	0.163
Rmeas	0.041	0.231
Rpim	0.029	0.163
Number of reflections	21924	2200
<I/σ(I)>	15	4.3
Completeness [%]	99.5	100
Redundancy	2	1.9
CC(1/2)	0.998	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1M BisTris Propane 0.2M Potassium Thiocyanate PEG3350 12-30%