8COI

Human adenovirus-derived synthetic ADDobody binder

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	2019-10-21
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	103.853, 104.629, 180.494
Unit cell angles	92.03, 95.65, 112.61

Refinement procedure

Resolution	19.970 - 3.170
R-factor	0.2154
Rwork	0.213
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.410	3.280
High resolution limit [Å]	3.170	3.170
Rmerge	0.120
Number of reflections	116474	11604
<I/σ(I)>	8.88
Completeness [%]	98.6
Redundancy	3.6
CC(1/2)		0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20 w/v % PEG 3350, 0.15 M citrate pH 5.5