7F8U

Crystal structure of the cholecystokinin receptor CCKAR in complex with lintitript

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	2016-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	54.410, 71.920, 86.050
Unit cell angles	90.00, 106.13, 90.00

Refinement procedure

Resolution	29.630 - 2.800
Rwork	0.236
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zbq
RMSD bond length	0.010
RMSD bond angle	1.296
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 (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	15523	1545
<I/σ(I)>	5.21	1
Completeness [%]	97.5
Redundancy	4.1
CC(1/2)	0.985	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M HEPES, pH7.5, 25% PEG400, 250 mM sodium tartrate ,1% 1,2 -butanediol