6ZA8

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule partial agonist RTI-3a

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	2018-11-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99998
Spacegroup name	C 2 2 21
Unit cell lengths	76.468, 211.197, 93.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 2.720
Rwork	0.281
R-free	0.30010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yvr
RMSD bond length	0.002
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]	29.640	3.014
High resolution limit [Å]	2.720	2.720
Rmerge	0.259	2.395
Rmeas	0.281	2.571
Rpim	0.106	0.913
Number of reflections	13577	679
<I/σ(I)>	5.2
Completeness [%]	90.4
Redundancy	6.5
CC(1/2)	0.975	0.435

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.1	100 mM HEPES 385-550 mM Na citrate 30-32% (v/v) PEG400 10 uM RTI-3a