6YVR

Crystal structure of the neurotensin receptor 1 in complex with the peptide full agonist NTS8-13

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000031
Spacegroup name	P 21 21 21
Unit cell lengths	89.886, 114.001, 195.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.633 - 2.458
Rwork	0.228
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xee
RMSD bond length	0.004
RMSD bond angle	1.265
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.633	2.647
High resolution limit [Å]	2.458	2.458
Rmerge	0.094	1.711
Rmeas	0.098	1.801
Rpim	0.028	0.555
Number of reflections	59974	3000
<I/σ(I)>	15.2	1.6
Completeness [%]	93.9
Redundancy	12
CC(1/2)	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.4	277.1	50mM glycine 1M NaCl 8.3% (w/v) PEG4000 Cryoprotectant solution contained: 50mM glycine pH 9.4 1M NaCl 100nM NTS8-13 15% (v/v) PEG600 15% (v/v) glycerol