9QAT

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

This is a non-PDB format compatible entry.

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	2024-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.929813
Spacegroup name	P 1
Unit cell lengths	72.840, 77.997, 81.707
Unit cell angles	88.45, 64.62, 74.70

Refinement procedure

Resolution	74.863 - 2.200
Rwork	0.166
R-free	0.21010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.673
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]	74.863	2.240
High resolution limit [Å]	2.200	2.200
Rpim	0.052	0.256
Number of reflections	78017	4410
<I/σ(I)>	9.1
Completeness [%]	98.5
Redundancy	3.5
CC(1/2)	0.991	0.870

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