7GQP

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494

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	2023-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.870, 63.017, 147.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.010 - 1.700
R-factor	0.1958
Rwork	0.194
R-free	0.22574
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.445
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]	62.990	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.250	4.869
Rmeas	0.260	5.060
Rpim	0.071	1.366
Total number of observations	601018	31299
Number of reflections	44860	2309
<I/σ(I)>	6.6	0.4
Completeness [%]	100.0
Redundancy	13.4	13.6
CC(1/2)	0.997	0.284

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