7GOU

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z285782452

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	42.690, 61.960, 147.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.950 - 1.460
R-factor	0.18914
Rwork	0.188
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.680
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]	36.920	1.500
High resolution limit [Å]	1.460	1.460
Rmerge	0.103	2.919
Rmeas	0.107	3.085
Rpim	0.029	0.975
Total number of observations	862428	47974
Number of reflections	68811	4994
<I/σ(I)>	10.6	0.8
Completeness [%]	100.0
Redundancy	12.5	9.6
CC(1/2)	0.999	0.336

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