8GEV

Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine

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	PIXEL
Collection date	2020-06-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	37.303, 38.665, 93.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.850 - 1.850
R-factor	0.1885
Rwork	0.186
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e5l
RMSD bond length	0.018
RMSD bond angle	1.522
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.700	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.143	0.958
Rmeas	0.174	1.095
Rpim	0.105	0.475
Number of reflections	22016	698
<I/σ(I)>	7.7	2.5
Completeness [%]	99.7	99.8
Redundancy	4.9
CC(1/2)	0.990	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M Bis-Tris, pH 5.5 and 25% poly ethylene glycol 3350 (w/v)