6G47

Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	64.880, 81.710, 93.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.765 - 1.497
R-factor	0.1625
Rwork	0.162
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xl8
RMSD bond length	0.009
RMSD bond angle	1.303
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.770	1.590
High resolution limit [Å]	1.497	1.497
Rmeas	0.093	1.279
Number of reflections	78833	12203
<I/σ(I)>	21.3	2
Completeness [%]	97.7	94.7
Redundancy	13.2	12.3
CC(1/2)	1.000	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	15% (w/V) PEG1000, 12.5% (w/V) PEG3350, 12.5% (w/V) MPD, 0.02 mM of each Na L glutamate, DL alanine, glycine, DL lysine HCl, and DL serine, 0.1 M Tris/Bicine pH 8.5