6KO5

Complex structure of Ghrelin receptor with Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	253.760, 44.750, 94.400
Unit cell angles	90.00, 97.26, 90.00

Refinement procedure

Resolution	49.421 - 3.300
R-factor	0.2131
Rwork	0.210
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s0v
RMSD bond length	0.002
RMSD bond angle	0.505
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.421	49.421	3.500
High resolution limit [Å]	3.300	9.270	3.300
Rmerge	0.874	0.190	4.384
Rmeas	0.887	0.193	4.445
Total number of observations	592198
Number of reflections	16374	794	2583
<I/σ(I)>	10.26	41.7	1.7
Completeness [%]	99.9	99.2	99.9
Redundancy	36.167	35.244	36.694
CC(1/2)	0.991	0.997	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM MES (pH6.6-7.0), 400 mM potassium acetate and 36-40% polyethylene glycol (PEG) 300.