28NU

Human Adenovirus type C5 knob protein with the KO1 mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97628
Spacegroup name	P 43
Unit cell lengths	139.976, 139.976, 139.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.200 - 2.600
R-factor	0.2163
Rwork	0.214
R-free	0.25718
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.466
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.200	2.650
High resolution limit [Å]	2.600	2.600
Rmerge	0.389	2.660
Rmeas	0.403	2.765
Rpim	0.106	0.752
Total number of observations		60674
Number of reflections	82777	4515
<I/σ(I)>	6.1	1
Completeness [%]	100.0
Redundancy	14.5	13.4
CC(1/2)	0.988	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.2 M Sodium citrate tribasic dihydrate, 0.1 M Bis-Tris propane, 20 % w/v PEG 3350