6E59

Crystal structure of the human NK1 tachykinin 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	2016-02-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	123.789, 61.975, 142.942
Unit cell angles	90.00, 100.18, 90.00

Refinement procedure

Resolution	34.440 - 3.400
R-factor	0.2511
Rwork	0.248
R-free	0.30480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zj8
RMSD bond length	0.011
RMSD bond angle	1.515
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.440	3.460
High resolution limit [Å]	3.400	3.400
Rmerge	0.168
Rpim		0.577
Number of reflections	11937
<I/σ(I)>	6.97
Completeness [%]	94.1
Redundancy	4
CC(1/2)		0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM sodium citrate, pH 5.4, 30% PEG300, 200 mM potassium nitrate, 2% 2,5-hexanediol