8PAB

Structures of the ectodomains of Atypical porcine pestivirus solved by long wavelength sulphur SAD

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	70
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.7552
Spacegroup name	H 3
Unit cell lengths	101.330, 101.330, 43.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.660 - 1.800
R-factor	0.1832
Rwork	0.181
R-free	0.22900
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	xia2
Data scaling software	xia2
Phasing software	HKL2Map
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.660	1.865
High resolution limit [Å]	1.800	1.800
Rmerge	0.063	0.502
Rmeas	0.065	0.542
Rpim	0.013	0.197
Number of reflections	15203	1454
<I/σ(I)>	26.38	2.49
Completeness [%]	99.3	92.92
Redundancy	16.9	6.7
CC(1/2)	1.000	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M Bis Tris pH 5.5, 0.2 M ammonium sulphate, 25% PEG 3350