7GOX

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z33452106

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	2023-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.762, 62.622, 147.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.700 - 1.470
R-factor	0.18402
Rwork	0.183
R-free	0.20073
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.730
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]	73.710	1.550
High resolution limit [Å]	1.470	1.470
Rmerge	0.097	1.693
Rmeas	0.103	1.821
Rpim	0.033	0.658
Total number of observations	638490	72647
Number of reflections	67901	9514
<I/σ(I)>	10.9	1.4
Completeness [%]	99.5
Redundancy	9.4	7.6
CC(1/2)	0.998	0.449

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