7FEE

Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	43.790, 74.330, 184.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.600 - 2.700
R-factor	0.2953
Rwork	0.293
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u09
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	2.790
High resolution limit [Å]	2.700	2.700
Number of reflections	17318	1694
<I/σ(I)>	12.6
Redundancy	32.7
CC(1/2)	0.987	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	25-36% PEG 300, 100Mm MES pH 6.0, 120-190mM Magnesium Sulfate