4XEE

Structure of active-like neurotensin receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 2 21
Unit cell lengths	49.070, 88.110, 161.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.900
R-factor	0.23386
Rwork	0.231
R-free	0.28126
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grv
RMSD bond length	0.006
RMSD bond angle	1.008
Data reduction software	XDS (10 Jan 2014)
Data scaling software	XSCALE (10 Jan 2014)
Phasing software	PHASER (Version 2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	3.100
High resolution limit [Å]	2.900	2.900
Rmerge	0.153	0.711
Number of reflections	14628
<I/σ(I)>	8.9	1.5
Completeness [%]	90.6	86.7
Redundancy	6.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	16-24% PEG400, 75 mM HEPES, pH 7.0-8.0, 1.7 mM TCEP, 32 mM lithium citrate, 0.9 mM Neurotensin (8-13)