6MP4

Human liver FABP1 bound to tetrahydrocannabinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.1808
Spacegroup name	P 21 21 21
Unit cell lengths	79.185, 79.291, 234.621
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.515 - 2.502
R-factor	0.2095
Rwork	0.206
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2STM
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.515	2.540
High resolution limit [Å]	2.500	2.500
Number of reflections	51960
<I/σ(I)>	26.7	1.91
Completeness [%]	100.0
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	1.4 M sodium malonate 0.1 M Bis Tris HCl