5T04

STRUCTURE OF CONSTITUTIVELY ACTIVE 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]	90
Detector technology	PIXEL
Collection date	2015-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 2
Unit cell lengths	104.190, 75.710, 83.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.141 - 3.300
R-factor	0.2555
Rwork	0.253
R-free	0.28330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xee
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.141	3.560
High resolution limit [Å]	3.300	3.300
Rmerge	0.180	0.720
Number of reflections	10042
<I/σ(I)>	8.3	1.6
Completeness [%]	97.3	88.3
Redundancy	7.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	13-16% (v/v) PEG 400, 80 mM TrisHCl pH 8.5-9.0, 1.9 mM TCEP, 68-91 mM lithium acetate, 0.9 mM Neurotensin
1	LIPIDIC CUBIC PHASE		293	13-16% (v/v) PEG 400, 80 mM TrisHCl pH 8.5-9.0, 1.9 mM TCEP, 68-91 mM lithium acetate, 0.9 mM Neurotensin