9QAQ

Human angiotensin-1 converting enzyme C-domain in complex with perindoprilat

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	2023-07-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731
Spacegroup name	P 21 21 21
Unit cell lengths	56.484, 85.119, 133.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.926 - 1.900
Rwork	0.169
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.332
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	133.830	1.940
High resolution limit [Å]	1.900	1.900
Rpim	0.066	0.792
Number of reflections	51757	3296
<I/σ(I)>	8.3
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.997	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	289.15	0.1 M MIB pH 4, 5% glycerol, 15% PEG 3350