6E6M

Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO)

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	2018-03-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	37.210, 93.040, 119.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.487 - 1.550
R-factor	0.1676
Rwork	0.166
R-free	0.20290
RMSD bond length	0.009
RMSD bond angle	1.002
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]	73.490	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.089	0.800
Rmeas	0.105	0.940
Rpim		0.480
Number of reflections	61400	2931
<I/σ(I)>	9	2.6
Completeness [%]	100.0
Redundancy	6.5
CC(1/2)	0.997	0.850

Crystallization Conditions

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