9R19

Crystal structure of human ACE2 in complex with VHH B07 and VHH B10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.
Spacegroup name	P 1 21 1
Unit cell lengths	97.920, 108.150, 146.100
Unit cell angles	90.00, 98.89, 90.00

Refinement procedure

Resolution	48.300 - 2.690
R-factor	0.2214
Rwork	0.220
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.370	2.760
High resolution limit [Å]	2.690	2.690
Rmerge	0.220	1.480
Rmeas	0.260	1.740
Rpim	0.135	0.905
Number of reflections	83613	6015
<I/σ(I)>	9.2
Completeness [%]	99.8
Redundancy	7.1
CC(1/2)	0.992	0.375

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	0.1M HEPES pH 7.5 10% (w/v) 2-propanol 20% (w/v) PEG 4K