9P1O

Crystal structure of TCZ9 bound with Cannabigerolic acid (CBGA)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 61 2 2
Unit cell lengths	94.292, 94.292, 237.058
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.210 - 1.930
R-factor	0.2104
Rwork	0.209
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.959
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.760	1.960
High resolution limit [Å]	1.930	1.930
Number of reflections	47637	2354
<I/σ(I)>	19.4	0.5
Completeness [%]	100.0	100
Redundancy	19.7
CC(1/2)	0.990	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.1 M HEPES, pH 7.2, 0.1 M calcium acetate, 19% PEG3350, 100 uM CBGA