7V3Z

Structure of cannabinoid receptor type 1(CB1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 2 21
Unit cell lengths	65.810, 75.350, 138.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.780 - 3.290
R-factor	0.218
Rwork	0.215
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xra
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.780	24.780	3.470
High resolution limit [Å]	3.270	9.810	3.270
Rmerge	0.540	0.159
Rmeas	0.544	0.161	14.281
Number of reflections	11228	484	1792
<I/σ(I)>	11.71	49.41	0.97
Completeness [%]	99.9	98.4	100
Redundancy	74.9	66.899	74.925
CC(1/2)	0.999	0.999	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7.2	293.15	30% PEG400, 100 mM HEPES sodium pH 7.2, 80-100mM sodium citrate tribasic dihydrate