8VJX

Structure of Human Neurolysin in complex with bradykinin peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	143.826, 60.510, 96.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.560 - 2.890
R-factor	0.2249
Rwork	0.223
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	14.801
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.560	3.130
High resolution limit [Å]	2.884	2.884
Rmerge	0.278	1.894
Rmeas	0.299	2.029
Rpim	0.108	0.718
Total number of observations		5746
Number of reflections	15148	758
<I/σ(I)>	5.9	1.3
Completeness [%]	77.0
Redundancy	7.3	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	17.5 ~ 30 % polyethylene glycol 3,350 and 50 ~ 125 mM Bis-Tris HCl buffer, pH 6.5