4INO

The crystal structure of Helicobacter pylori Ceue (HP1561)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-31
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	67.370, 87.020, 105.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.234 - 1.650
R-factor	0.1948
Rwork	0.193
R-free	0.22460
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.149
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.590	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.054	0.510
Number of reflections	73090
<I/σ(I)>	10.2	2.3
Completeness [%]	97.0	96.8
Redundancy	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	0.1 M SPG buffer, 25% w/v PEG1500, pH 8.0, VAPOR DIFFUSION, temperature 393K
1		8	293	0.1 M SPG buffer, 25% w/v PEG1500, pH 8.0, VAPOR DIFFUSION, temperature 393K