8QFX

Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide IPP

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	2016-12-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 1
Unit cell lengths	74.229, 103.395, 115.416
Unit cell angles	84.95, 85.49, 81.55

Refinement procedure

Resolution	79.452 - 1.600
Rwork	0.181
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.939
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.710	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.061	0.859
Number of reflections	432760	20957
<I/σ(I)>	6.4
Completeness [%]	97.2
Redundancy	6.9
CC(1/2)	0.998	0.344

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289.15	30% PEG 500 MME/PEG 20000, 0.1 M Tris/Bicine pH 8.5 and 60 mM divalent cations [Molecular Dimensions (Rotherham, UK) Morpheus A9]