6ZPQ

Crystal structure of the open conformation of Angiotensin-1 converting enzyme N-domain.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	74.683, 99.934, 128.701
Unit cell angles	97.76, 90.21, 111.06

Refinement procedure

Resolution	80.500 - 1.850
R-factor	0.1846
Rwork	0.184
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f9v
RMSD bond length	0.009
RMSD bond angle	0.773
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.260	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.134
Rpim	0.055
Number of reflections	286723	14077
<I/σ(I)>	7.7	0.8
Completeness [%]	97.7	96.3
Redundancy	6.9	6.9
CC(1/2)	0.996	0.546

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