6STT

Adenovirus 29 Fiber Knob protein in complex with Sialic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 2 3
Unit cell lengths	104.236, 104.236, 104.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.250 - 1.540
R-factor	0.1423
Rwork	0.140
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.668
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.250	60.180	1.570
High resolution limit [Å]	1.540	8.440	1.540
Rmerge	0.093	0.030	2.370
Rmeas	0.096	0.031	2.425
Rpim	0.020	0.007	0.512
Total number of observations		7378	62276
Number of reflections	55982	394	2787
<I/σ(I)>	17.9	77	1.4
Completeness [%]	100.0	99.7	100
Redundancy	22.4	18.7	22.3
CC(1/2)	1.000	1.000	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.1 M SPG Buffer, 25% PEG 1500