6E5T

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

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	P 21 21 21
Unit cell lengths	37.319, 40.739, 92.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.586 - 1.550
R-factor	0.1788
Rwork	0.176
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h8t
RMSD bond length	0.009
RMSD bond angle	1.042
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]	46.040	1.580
High resolution limit [Å]	1.550	1.550
Rpim	0.039	0.360
Number of reflections	20911
<I/σ(I)>	12.8	2.9
Completeness [%]	99.2	99.5
Redundancy	11.9
CC(1/2)	1.000	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	297	0.1 m BisTris, pH 5.5, 25% PEG 3350