5XRA

Crystal structure of the human CB1 in complex with agonist AM11542

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 2 21
Unit cell lengths	66.050, 75.870, 138.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.910 - 2.800
R-factor	0.235
Rwork	0.234
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tgz
RMSD bond length	0.003
RMSD bond angle	0.732
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.910	2.900
High resolution limit [Å]	2.800	2.800
Rmerge		0.562
Number of reflections	16685
<I/σ(I)>	10.41	2.07
Completeness [%]	93.5	90.03
Redundancy	6.1	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M sodium cacodylate trihydrate pH 6.4, 300-350 mM C4H4KNaO6, 30% PEG400