3TJ9

Crystal structure of Helicobacter pylori UreE bound to Zn2+

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-15
Detector	RAYONIX MX-225
Wavelength(s)	1.2818, 1.2832, 1.2765
Spacegroup name	P 65 2 2
Unit cell lengths	109.343, 109.343, 280.343
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.830 - 2.521
R-factor	0.20389
Rwork	0.203
R-free	0.24484
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	1.909
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Auto-Rickshaw ("three wavelength MAD")
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.520	2.520
Number of reflections	34454
<I/σ(I)>	22.4	3.4
Completeness [%]	99.9	98.2
Redundancy	9.4	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	4.0M sodium formate, 0.1M sodium cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K