6E5W

Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	CCD
Collection date	2017-11-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	37.460, 127.510, 160.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	99.773 - 2.500
R-factor	0.1911
Rwork	0.189
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ggl
RMSD bond length	0.012
RMSD bond angle	1.239
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.800	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.170	0.870
Rpim	0.080	0.610
Number of reflections	27540	3005
<I/σ(I)>	7.2	2.7
Completeness [%]	99.9	99.9
Redundancy	5.8
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	297	0.2M sodium malonate, pH 5.0 20% PEG 3350