8T6I

Structure of VHH-Fab complex with engineered Crystal Kappa region

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	2022-10-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	54.481, 74.189, 218.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.368 - 2.550
R-factor	0.1972
Rwork	0.194
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.101
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.190	2.660
High resolution limit [Å]	2.550	2.550
Rpim	0.030	0.800
Number of reflections	29702	3539
<I/σ(I)>	18.5	1
Completeness [%]	99.7	99.9
Redundancy	5.6	5.8
CC(1/2)	0.990	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Potassium citrate tribasic monohydrate, 20% PEG3350