9TAC

Crystal Structure of Human Adenovirus 52 Short Fiber Knob Mutant K349R 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	2020-03-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.999997
Spacegroup name	P 21 21 21
Unit cell lengths	63.501, 82.245, 93.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 2.100
R-factor	0.1994
Rwork	0.198
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.902
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]	46.730	2.220
High resolution limit [Å]	2.100	2.100
Rmeas	0.291	1.337
Number of reflections	29147	4647
<I/σ(I)>	5.98	1.35
Completeness [%]	99.8	99.9
Redundancy	5.16
CC(1/2)	0.985	0.497

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; 25 % (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; Seed stock N243R 1:100