7GPZ

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00024673

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	42.730, 62.348, 147.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.890 - 1.710
R-factor	0.19347
Rwork	0.192
R-free	0.22797
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.488
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]	147.850	1.740
High resolution limit [Å]	1.710	1.710
Rmerge	0.206	3.342
Rmeas	0.214	3.475
Rpim	0.059	0.943
Total number of observations	582652	28707
Number of reflections	43688	2133
<I/σ(I)>	7	0.4
Completeness [%]	99.7
Redundancy	13.3	13.5
CC(1/2)	0.997	0.278

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