6ZPU

Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus.

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	2020-03-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	58.453, 84.904, 128.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.180 - 2.000
R-factor	0.1926
Rwork	0.191
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f9u
RMSD bond length	0.003
RMSD bond angle	0.642
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]	84.900	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.301
Rpim	0.087
Number of reflections	43959	3204
<I/σ(I)>	6.3	0.9
Completeness [%]	100.0	100
Redundancy	12.9	13.3
CC(1/2)	0.996	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	289	0.1 M MIB pH 4.0, 5% glycerol, 15% PEG 3350