9HVJ

Ligand binding domain of Roseburia intestinalis L1-82 uracil chemoreceptor (dCache) in complex with uracil and acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	35.000, 93.080, 44.380
Unit cell angles	90.00, 92.19, 90.00

Refinement procedure

Resolution	46.540 - 1.460
R-factor	0.1691
Rwork	0.168
R-free	0.18890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.895
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.540	1.516
High resolution limit [Å]	1.460	1.464
Rmerge	0.167	0.942
Rpim	0.069	0.394
Number of reflections	48349	4659
<I/σ(I)>	13.29	3.31
Completeness [%]	99.1	95.55
Redundancy	6.8	6.6
CC(1/2)	0.996	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium fluoride, 20% (w/v) PEG 3350