9TAB

Crystal Structure of Human Adenovirus 52 Short Fiber Knob Mutant N243R in Complex with alpha-(2,8)-Pentasialic Acid (DP5)

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	2020-02-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999995
Spacegroup name	P 21 21 21
Unit cell lengths	63.446, 82.268, 93.421
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.250 - 1.900
R-factor	0.1653
Rwork	0.163
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.245
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]	44.250	2.010
High resolution limit [Å]	1.900	1.900
Rmeas	0.122	0.434
Number of reflections	38759	5951
<I/σ(I)>	9.52	2.73
Completeness [%]	98.6	95.2
Redundancy	3.52	2.71
CC(1/2)	0.993	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	12.5 % (v/v) MPD; 12.5 % (w/v) PEG3350; 17.5 % (w/v) PEG1000, 0.1 M Tris/Bicine pH 8.5, 1.6 mM of each Glycine, Na L-Glutamate, DL-Alanine, DL-Lysine, DL-Serine