9QAV

Human angiotensin-1 converting enzyme N-domain in complex with enalaprilat

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	2024-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731
Spacegroup name	P 1
Unit cell lengths	72.281, 77.586, 80.996
Unit cell angles	88.71, 64.86, 75.07

Refinement procedure

Resolution	74.595 - 2.300
Rwork	0.177
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.057
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]	74.600	2.350
High resolution limit [Å]	2.300	2.300
Rpim	0.100	0.784
Number of reflections	67085	4510
<I/σ(I)>	5.4
Completeness [%]	98.6
Redundancy	3.6
CC(1/2)	0.987	0.412

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent cations, 30% PEG550MME/PEG20000