6ZIN

Crystal structure of the neurotensin receptor 1 in complex with the small molecule inverse agonist SR48692

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	2018-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999879
Spacegroup name	C 1 2 1
Unit cell lengths	212.980, 37.150, 91.210
Unit cell angles	90.00, 113.60, 90.00

Refinement procedure

Resolution	28.567 - 2.639
Rwork	0.266
R-free	0.30980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yvr
RMSD bond length	0.002
RMSD bond angle	1.197
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]	28.569	2.965
High resolution limit [Å]	2.639	2.639
Rmerge	0.123	1.206
Rpim	0.063	0.612
Number of reflections	12018	601
<I/σ(I)>	5.7	1.2
Completeness [%]	85.4
Redundancy	4.5
CC(1/2)	0.993	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	100 mM Bis-Tris 500 mM K citrate 30% (v/v) PEG400 10 uM SR48692