8HQQ

Crystal structure of the glucose-binding protein SAR11_0769 from "Candidatus Pelagibacter ubique" HTCC1062 bound to glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	44.642, 44.642, 329.112
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.400 - 1.860
R-factor	0.2054
Rwork	0.204
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.931
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XDS (Jan 10, 2022)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.020	1.980
High resolution limit [Å]	1.860	1.860
Rmerge	0.239	0.521
Rmeas	0.248	0.545
Number of reflections	33089	4941
<I/σ(I)>	6.28	1.08
Completeness [%]	99.0	94.4
Redundancy	12	9.49
CC(1/2)	0.986	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1 uL 12 mg/mL protein + 1 uL 18.5% (w/v) PEG 1500, 10% (v/v) isopropanol, 0.1 M Bis-Tris pH 6.5. Crystal was cryoprotected in 15% (w/v) PEG 1500, 30% (v/v) ethylene glycol, 10% (v/v) isopropanol, 0.1 M Bis-Tris pH 6.5.