9QAR

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

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	2023-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953738
Spacegroup name	P 1
Unit cell lengths	73.284, 77.814, 83.430
Unit cell angles	88.38, 63.98, 74.55

Refinement procedure

Resolution	74.608 - 2.000
Rwork	0.177
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.882
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]	74.610	2.030
High resolution limit [Å]	2.000	2.000
Rpim	0.024	0.094
Number of reflections	105349	5271
<I/σ(I)>	18.6
Completeness [%]	98.1
Redundancy	3.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289.15	0.1 M Tris/Bicine pH 8.5, 0.06 M Divalent Cations, 30% PEG550MME/PEG20000