6E5L

Crystal structure of human cellular retinol binding protein 1 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	37.219, 40.890, 92.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.070 - 1.170
R-factor	0.1198
Rwork	0.118
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h8t
RMSD bond length	0.007
RMSD bond angle	0.916
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]	46.070	1.190
High resolution limit [Å]	1.170	1.170
Rpim	0.050
Number of reflections	47869	2384
<I/σ(I)>	11.6	5.5
Completeness [%]	99.3	99.5
Redundancy	5.8
CC(1/2)	0.990	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	0.1 M BisTris, pH 5.5, and 25% PEG 3350