9QA0

Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with IW 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	2024-11-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95
Spacegroup name	H 3
Unit cell lengths	173.236, 173.236, 103.069
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.059 - 2.200
Rwork	0.171
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.463
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]	50.059	2.260
High resolution limit [Å]	2.200	2.200
Rpim	0.062	0.572
Number of reflections	58565	4567
<I/σ(I)>	8.3	1.3
Completeness [%]	100.0	100
Redundancy	10.6
CC(1/2)	0.997	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		299	1.2 M sodium citrate, 0.1 M HEPES pH 7.5