9QD4

Crystal structure of the neurotensin receptor 1 in complex with the small-molecule full agonist cp30a

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	C 2 2 21
Unit cell lengths	75.888, 216.060, 96.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.600 - 3.112
Rwork	0.312
R-free	0.32490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.600	3.390
High resolution limit [Å]	3.100	3.100
Rmerge	1.000	9.860
Rpim	0.250	2.440
Number of reflections	11602	580
<I/σ(I)>	8.5	1.4
Completeness [%]	91.0
Redundancy	15.8
CC(1/2)	0.970	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	293.15	100 mM Na cacodylate 350 mM K citrate tribasic 30% (v/v) PEG400 50 uM cp30a