8T8I

Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	52.221, 72.771, 242.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	121.200 - 2.520
R-factor	0.1938
Rwork	0.191
R-free	0.24291
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.118
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	121.200	2.620
High resolution limit [Å]	2.520	2.520
Rpim	0.040	0.780
Number of reflections	32276	3603
<I/σ(I)>	12.5	0.8
Completeness [%]	100.0	100
Redundancy	13.1	13.6
CC(1/2)	0.990	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	2% Tacsimate pH 5.0, 0.1 M Na citrate tribasic dihydrate, 16% PEG 3350