7GP1

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z401437758

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	42.868, 62.332, 148.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.040 - 1.610
R-factor	0.19492
Rwork	0.193
R-free	0.22701
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.455
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]	74.037	1.726
High resolution limit [Å]	1.607	1.607
Rmerge	0.336	3.097
Rmeas	0.352	3.257
Rpim	0.105	0.994
Total number of observations	396754	18801
Number of reflections	37747	1887
<I/σ(I)>	5.6	1.4
Completeness [%]	71.8
Redundancy	10.5	10

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