9B9X

Crystal structure of the ligand binding domain of the Halomonas titanicae chemoreceptor Htc10 in complex with hypoxanthine

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	2021-01-31
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	H 3 2
Unit cell lengths	175.856, 175.856, 88.611
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.750 - 3.630
R-factor	0.2445
Rwork	0.242
R-free	0.29430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.513
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.590	3.980
High resolution limit [Å]	3.630	3.630
Rmerge	0.214	1.122
Rmeas	0.224	1.175
Rpim	0.066	0.345
Number of reflections	6047	1429
<I/σ(I)>	10.3	2.5
Completeness [%]	99.9	99.9
Redundancy	11.3	11.5
CC(1/2)	0.996	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	1 M (NH4)2SO4