13XS

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z1230130478

This is a non-PDB format compatible entry.

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)	0.92202
Spacegroup name	P 1 21 1
Unit cell lengths	55.489, 83.744, 58.895
Unit cell angles	90.00, 108.31, 90.00

Refinement procedure

Resolution	55.910 - 1.340
R-factor	0.1859
Rwork	0.185
R-free	0.21000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.692
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]	55.910	55.910	1.360
High resolution limit [Å]	1.340	7.340	1.340
Rmerge	0.057	0.040	0.352
Rmeas	0.063	0.044	0.497
Rpim	0.025	0.018	0.352
Total number of observations	433991	4761	279
Number of reflections	82451	737	275
<I/σ(I)>	18.2	75.9	0.3
Completeness [%]	72.1	99.9	4.9
Redundancy	5.3	6.5	1
CC(1/2)	0.998	0.994

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