7F8Y

Crystal structure of the cholecystokinin receptor CCKAR in complex with devazepide

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	2016-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	54.780, 72.420, 86.140
Unit cell angles	90.00, 107.28, 90.00

Refinement procedure

Resolution	29.770 - 2.500
R-factor	0.2197
Rwork	0.215
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zbq
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XSCALE (VERSION Jan 26, 2018)
Phasing software	PHASER (1.19.2)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	39065	2194
<I/σ(I)>	5	1
Completeness [%]	99.3
Redundancy	4.8
CC(1/2)	0.986	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M HEPES, pH 7.5, 25% (v/v) PEG400 and 350 mM ammonium acetate