8VJY

Structure of Human Neurolysin in complex with Neurotensin 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 21
Unit cell lengths	59.712, 150.576, 188.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.510 - 1.950
R-factor	0.1994
Rwork	0.198
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	14.108
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]	48.510	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.166	2.914
Rmeas	0.181	3.286
Rpim	0.071	1.471
Total number of observations	783426	21292
Number of reflections	123468	4926
<I/σ(I)>	9.3	0.5
Completeness [%]	99.0
Redundancy	6.3	4.3
CC(1/2)	0.995	0.157

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