13YE

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1509191464

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	2024-11-15
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92203
Spacegroup name	P 1 21 1
Unit cell lengths	55.529, 83.852, 58.930
Unit cell angles	90.00, 108.20, 90.00

Refinement procedure

Resolution	55.980 - 1.340
R-factor	0.186
Rwork	0.185
R-free	0.21140
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.830
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.970	55.970	1.360
High resolution limit [Å]	1.340	7.340	1.340
Rmerge	0.033	0.049	2.357
Rmeas	0.036	0.055	3.334
Rpim	0.014	0.024	2.357
Total number of observations	434075	4662	254
Number of reflections	84538	741	252
<I/σ(I)>	32.3	96	0.7
Completeness [%]	73.7	99.9	4.5
Redundancy	5.1	6.3	1
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M TRIS-HCl (pH 8.5), 16% PEG 3350, 16% Isopropanol