3NY0

Crystal Structure of UreE from Helicobacter pylori (Ni2+ bound form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.4849
Spacegroup name	P 41 21 2
Unit cell lengths	91.057, 91.057, 202.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.630 - 3.090
R-factor	0.2477
Rwork	0.245
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3la0
RMSD bond length	0.018
RMSD bond angle	2.057
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.630	50.000	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.096	0.049	0.293
Number of reflections	14069
<I/σ(I)>	12.7
Completeness [%]	85.7	99.1	38.9
Redundancy	10.1	10.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	13% PEG 20000, 0.1M MES pH 5.5, vapor diffusion, sitting drop, temperature 295K