9TAA

Crystal Structure of Human Adenovirus 52 Short Fiber Knob Mutant Q320R in Complex with alpha-(2,8)-Pentasialic Acid (DP5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	P 21 21 21
Unit cell lengths	64.294, 81.645, 93.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.590 - 1.910
R-factor	0.1707
Rwork	0.169
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.946
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.590	2.010
High resolution limit [Å]	1.910	1.910
Rmeas	0.143	1.124
Number of reflections	38731	6133
<I/σ(I)>	10.47	1.53
Completeness [%]	99.9	99.3
Redundancy	6.75	6.06
CC(1/2)	0.997	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.65	293.15	12.5 % (v/v) MPD, 12.5 % (w/v) PEG3350 25 % (w/v) PEG1000, 0.1 M Tris/Bicine pH 8.65 ,1.6 mM of each Glycine, Na L-Glutamate, DL-Alanine, DL-Lysine, DL-Serine, Seed stock N243R 1:100