9QA1

Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with VW dipeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95
Spacegroup name	H 3
Unit cell lengths	172.529, 172.529, 103.745
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.170 - 2.200
Rwork	0.170
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.729
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.170	2.260
High resolution limit [Å]	2.200	2.200
Rpim	0.070	0.848
Number of reflections	58412	4498
<I/σ(I)>	8.6	1.4
Completeness [%]	100.0
Redundancy	21.7
CC(1/2)	0.997	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	1.2 M sodium citrate, 0.1 M HEPES pH 7.5