5LUZ

Structure of Human Neurolysin (E475Q) in complex with neurotensin peptide products

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.968
Spacegroup name	P 43 21 2
Unit cell lengths	131.329, 131.329, 195.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.21813
Rwork	0.216
R-free	0.26786
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i1i
RMSD bond length	0.007
RMSD bond angle	1.068
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.010	0.570
Number of reflections	46686
<I/σ(I)>	12.2	2.9
Completeness [%]	98.6	99.2
Redundancy	5.9	6.2
CC(1/2)	0.982	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.1M Bis-Tris-propane, 11% PEG 3350, 10% glycerol, 0.2M potassium thiocyanate