4XES

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	2014-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 2 21
Unit cell lengths	49.840, 88.440, 161.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.000 - 2.600
R-factor	0.23248
Rwork	0.230
R-free	0.27972
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grv
RMSD bond length	0.007
RMSD bond angle	1.185
Data reduction software	XDS (10 Jan 2014 Built=20140307)
Data scaling software	XSCALE (4 Jul 2012, Built=20131111)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.200	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.150	0.750
Number of reflections	22591
<I/σ(I)>	10.8	1.5
Completeness [%]	99.5	98.7
Redundancy	7.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	19.8-23.4% PEG400, 80 mM HEPES, 50 mM lithium citrate, 2 mM TCEP