6QBA

Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.968
Spacegroup name	P 21 21 21
Unit cell lengths	44.456, 77.614, 80.509
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.250 - 1.800
R-factor	0.1901
Rwork	0.188
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o9s 1xyi
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_3353)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.250	1.913
High resolution limit [Å]	1.800	1.800
Rmeas		1.980
Number of reflections	26332	4317
<I/σ(I)>	9.65	0.88
Completeness [%]	99.3	99.68
Redundancy	6.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.2 M Zn acetate 0.1 M imidazole pH 8 20% PEG 3K