9KPJ

Crystal structure of Helicobacter pylori chemoreceptor TlpA ligand-binding domain in complex with indole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	29.586, 168.571, 132.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.143 - 2.010
R-factor	0.1777
Rwork	0.175
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.15)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.143	2.082
High resolution limit [Å]	2.010	2.010
Rmerge	0.154	1.759
Rmeas	0.160	1.835
Rpim	0.045	0.513
Number of reflections	21323	1459
<I/σ(I)>	12.92
Completeness [%]	93.0	64.7
Redundancy	12.5
CC(1/2)	0.997	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	291.15	0.04 M Citric acid, 0.06 M BIS-TRIS propane, 20 % w/v PEG 3350