7GO8

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1230013388

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	2023-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.813, 62.767, 147.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.810 - 1.420
R-factor	0.18775
Rwork	0.187
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.727
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.740	1.490
High resolution limit [Å]	1.420	1.420
Rmerge	0.096	1.884
Rmeas	0.101	2.018
Rpim	0.031	0.707
Total number of observations	768521	81793
Number of reflections	75531	10635
<I/σ(I)>	10.7	1
Completeness [%]	98.9
Redundancy	10.2	7.7
CC(1/2)	0.997	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.14	298	25% PEG 3350, 0.1M Tris, 0.2M Ammonium acetate