9QAN

Human angiotensin-1 converting enzyme C-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	2022-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953731
Spacegroup name	P 21 21 21
Unit cell lengths	56.742, 85.685, 134.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.372 - 1.500
Rwork	0.165
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.208
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	134.510	134.510	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.108	0.047	2.037
Rmeas	0.117	0.051	2.206
Rpim	0.045	0.020	0.842
Number of reflections	105702	765	5178
<I/σ(I)>	11.5	40.2	1.1
Completeness [%]	100.0	99.9	100
Redundancy	13.1	11.1	13.2
CC(1/2)	0.999	0.998	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	289.15	0.1 M MIB, 5% glycerol, 15% PEG 3350.