6Y5Y

Structure of New Jersey Polyomavirus VP1 in complex with 3'-Sialyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2014-09-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 1 21 1
Unit cell lengths	86.381, 151.082, 130.617
Unit cell angles	90.00, 106.56, 90.00

Refinement procedure

Resolution	48.200 - 1.800
R-factor	0.1668
Rwork	0.166
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fmg
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	1.865
High resolution limit [Å]	1.800	1.801
Rmeas	0.156	1.176
Number of reflections	295112	29218
<I/σ(I)>	9.79	1.39
Completeness [%]	99.8
Redundancy	5.7
CC(1/2)	0.996	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	Succinic acid, PEG 3350