7GO1

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1143279263

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	2023-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.707, 62.503, 147.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.790 - 1.680
R-factor	0.18724
Rwork	0.185
R-free	0.22131
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.519
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]	73.790	1.770
High resolution limit [Å]	1.680	1.680
Rmerge	0.149	2.739
Rmeas	0.156	2.885
Rpim	0.044	0.871
Total number of observations	487531	56114
Number of reflections	42411	5816
<I/σ(I)>	8.8	1
Completeness [%]	92.0
Redundancy	11.5	9.6
CC(1/2)	0.997	0.387

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