4TSD

Crystal structure of Helicobacter pylori HP1029

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	2013-07-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.28167
Spacegroup name	P 21 21 21
Unit cell lengths	44.788, 77.490, 99.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.567 - 1.530
R-factor	0.1592
Rwork	0.158
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s4c
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.570	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.056	0.704
Number of reflections	50272
<I/σ(I)>	27.1	2
Completeness [%]	95.0	68.2
Redundancy	11	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Tris, 8% w/v PEG 8000 (solution number 38 SS1 kit, Molecular Dimensions)