7GOZ

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z381474098

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	42.801, 61.909, 147.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.890 - 1.660
R-factor	0.21777
Rwork	0.216
R-free	0.25003
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.517
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]	36.870	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.182	2.205
Rmeas	0.189	2.296
Rpim	0.052	0.626
Total number of observations	628997	30707
Number of reflections	46909	2249
<I/σ(I)>	6.1	0.4
Completeness [%]	99.4
Redundancy	13.4	13.7
CC(1/2)	0.989	0.326

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