6E6K

Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-05-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	35.039, 57.390, 67.990
Unit cell angles	90.00, 103.67, 90.00

Refinement procedure

Resolution	33.030 - 1.300
R-factor	0.1704
Rwork	0.169
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6at8
RMSD bond length	0.008
RMSD bond angle	0.960
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]	33.030	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.110	0.710
Rmeas	0.133	0.860
Rpim	0.073	0.490
Number of reflections	30515	1482
<I/σ(I)>	7.7	2.3
Completeness [%]	95.0	96.3
Redundancy	6.1
CC(1/2)	0.997	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.2 M NaCl, 0.1 M BisTris, pH 6.5, 25% PEG3350