5ZBQ

The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	37.840, 100.680, 83.160
Unit cell angles	90.00, 98.76, 90.00

Refinement procedure

Resolution	29.380 - 2.700
R-factor	0.226
Rwork	0.225
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grv 1c5p
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.166	0.937
Number of reflections	16689	2119
<I/σ(I)>	4.78	1
Completeness [%]	97.3	96.9
Redundancy	3.97	3.64
CC(1/2)	0.988	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.4	293	0.1 M Tris, pH 7.4-8.0, 30-40% (v/v) PEG400, 50-150 mM sodium tartrate and 100 uM UR-MK299