7GOC

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1318110042

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	2023-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92124
Spacegroup name	P 21 21 21
Unit cell lengths	42.932, 62.141, 147.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.890 - 1.560
R-factor	0.22902
Rwork	0.227
R-free	0.26899
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
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]	147.840	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.203	2.759
Rmeas	0.212	2.897
Rpim	0.059	0.872
Total number of observations	747486	31502
Number of reflections	57234	2835
<I/σ(I)>	4.1	0.1
Completeness [%]	99.8
Redundancy	13.1	11.1
CC(1/2)	0.993	0.121

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