8W3T

Crystal Structure of Enterovirus 68 3C Protease with GC376 at 1.98 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 9M
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	56.174, 56.174, 170.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.070 - 1.980
R-factor	0.2003
Rwork	0.199
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.19.1_4122+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.070	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.029	0.405
Number of reflections	22473	2168
<I/σ(I)>	14	4
Completeness [%]	99.5	99.36
Redundancy	2	2
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	0.07 M Sodium Acetate PEG4000 6-15% Glycerol 10-35%