5TGZ

Crystal Structure of the Human Cannabinoid Receptor CB1

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	2016-05-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	116.560, 52.630, 143.630
Unit cell angles	90.00, 111.14, 90.00

Refinement procedure

Resolution	47.045 - 2.800
R-factor	0.2081
Rwork	0.206
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z34 1i1o
RMSD bond length	0.004
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (dev_2289)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050
High resolution limit [Å]	2.800	2.800
Rmerge	0.126	0.520
Number of reflections	19837
<I/σ(I)>	10.1	2.1
Completeness [%]	97.4	94.1
Redundancy	8.1	4.6
CC(1/2)	0.999	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1M HEPES pH 7.0-7.4, 100mM (NH4)2HPO4, 25%-32% PEG 400, 2-20 mM Ethylenediaminetetraacetic acid disodium salt dehydrate (EDTA)