3UB6

Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with urea bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	79.608, 81.881, 94.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 1.380
R-factor	0.1245
Rwork	0.123
R-free	0.14640
Structure solution method	SIRAS
RMSD bond length	0.017
RMSD bond angle	1.484
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.400
High resolution limit [Å]	1.380	3.750	1.380
Rmerge	0.071	0.051	0.490
Number of reflections	126318
<I/σ(I)>	13.3
Completeness [%]	99.4	99.9	98.3
Redundancy	8.6	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M PIPES pH 6.5, 22% PEG 3350, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K