9I7O

Beta-lactoglobulin complex with retinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION GEMINI
Temperature [K]	291
Detector technology	CCD
Collection date	2024-06-18
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	53.907, 53.907, 112.579
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.620 - 2.000
R-factor	0.1772
Rwork	0.176
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.823
Data reduction software	XDS (20230630)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.620	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.085	2.421
Rmeas	0.092	2.615
Rpim	0.034	1.354
Number of reflections	13345	964
<I/σ(I)>	12.7	0.9
Completeness [%]	99.7	99.9
Redundancy	7.5
CC(1/2)	0.999	0.401

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	2.4 M ammonium sulfate 0.5 M TRIS