3UX4

Crystal structure of the urea channel from the human gastric pathogen Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97911
Spacegroup name	P 42 21 2
Unit cell lengths	122.904, 122.904, 141.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.350 - 3.260
R-factor	0.24233
Rwork	0.239
R-free	0.29949
RMSD bond length	0.010
RMSD bond angle	1.468
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.746	3.430
High resolution limit [Å]	3.256	3.256
Rmerge	0.050	1.108
Number of reflections	17263
<I/σ(I)>	21.2	1.6
Completeness [%]	98.8	97.9
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	285	Drop: 1.57 mg/mL UreI protein, 0.04 M NaCl, 1 mM TlCl, 0.01 M CaCl2, 7% PEG400, 0.05% decylmaltoside, 2.25% octylglucoside, 0.8 mg/mL E. coli polar lipids, 0.035 M MES, pH5.3, reservoir: 20% PEG400, 0.1 M MES, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 285K