6Z4S

Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) 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	2019-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000009
Spacegroup name	P 21 21 21
Unit cell lengths	43.518, 77.727, 158.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.353 - 2.707
Rwork	0.273
R-free	0.28890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yvr
RMSD bond length	0.001
RMSD bond angle	1.165
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]	29.353	3.029
High resolution limit [Å]	2.707	2.707
Rmerge	0.525	4.678
Rmeas	0.564	4.929
Rpim	0.198	1.504
Number of reflections	10475	524
<I/σ(I)>	4.3	1.4
Completeness [%]	90.6
Redundancy	7.3
CC(1/2)	0.964	0.294

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	100 mM Na citrate 225-460 mM ammonium nitrate 30-32% (v/v) PEG400 1 uM SR48692