7GQ5

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z2301685688

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	2023-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.643, 62.644, 146.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.690 - 1.430
R-factor	0.20172
Rwork	0.201
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.547
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]	62.670	1.450
High resolution limit [Å]	1.430	1.430
Rmerge	0.113	2.509
Rmeas	0.118	2.666
Rpim	0.033	0.884
Total number of observations	916465	32319
Number of reflections	73983	3625
<I/σ(I)>	8.3	0.3
Completeness [%]	99.8
Redundancy	12.4	8.9
CC(1/2)	0.995	0.323

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