8VJU

Structure of Human Neurolysin in complex with dynorphin A13 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-13
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	142.067, 60.257, 95.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.290 - 1.990
R-factor	0.1962
Rwork	0.195
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	14.818
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]	79.290	2.111
High resolution limit [Å]	1.987	1.987
Rmerge	0.055	0.823
Rmeas	0.067	0.981
Rpim	0.037	0.528
Total number of observations		7684
Number of reflections	48708	2435
<I/σ(I)>	9.7	1.4
Completeness [%]	84.9
Redundancy	3	3.2

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