6Z4Q

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule inverse agonist SR142948A

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	2018-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	C 1 2 1
Unit cell lengths	211.924, 36.845, 90.288
Unit cell angles	90.00, 113.65, 90.00

Refinement procedure

Resolution	28.307 - 2.923
Rwork	0.281
R-free	0.30690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yvr
RMSD bond length	0.001
RMSD bond angle	1.186
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]	28.307	3.324
High resolution limit [Å]	2.923	2.923
Rmerge	0.202	2.099
Rmeas	0.225	2.287
Rpim	0.097	0.895
Number of reflections	8671	434
<I/σ(I)>	4.7	1.5
Completeness [%]	78.2	23.9
Redundancy	4.7	6.4
CC(1/2)	0.989	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	293.15	100 mM Bis-Tris 400 mM K citrate 30% (v/v) PEG400 10 uM SR142948A