4POR

Structure of Human Polyomavirus 9 VP1 pentamer in complex with 3'-sialyllactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	93
Detector technology	PIXEL
Collection date	2013-03-01
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	97.010, 180.400, 199.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	133.855 - 2.090
R-factor	0.17944
Rwork	0.178
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4poq
RMSD bond length	0.008
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0025)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	133.855	2.140
High resolution limit [Å]	2.090	2.090
Rmerge	0.150	0.780
Number of reflections	206909
<I/σ(I)>	8.36	1.92
Completeness [%]	99.0	97.88
Redundancy	3.15	2.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.15	293	20% v/v isopropanol, 0.2 M calcium chloride, 0.1 M sodium acetate, pH 5.15, soaked in 40 mM 3'-sialyllactose for 25 minutes, cryoprotectant: 25% v/v ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K