9SPA

Apo ACE2 extracellular domain

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	2024-02-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	163.346, 163.346, 71.125
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	115.500 - 1.790
R-factor	0.2217
Rwork	0.221
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.500	1.820
High resolution limit [Å]	1.790	1.790
Rmerge	0.147	4.639
Rmeas	0.149	4.724
Rpim	0.029	0.891
Total number of observations	2462297	125285
Number of reflections	90738	4491
<I/σ(I)>	14	0.4
Completeness [%]	100.0
Redundancy	27.1	27.9
CC(1/2)	0.999	0.325

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	28 %v/v PEGSM (Precipitant), 0.15 M NaCl (Salt)