4G0H

Crystal structure of the N-terminal domain of Helicobacter pylori CagA protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-04-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.97627
Spacegroup name	P 41 21 2
Unit cell lengths	97.830, 97.830, 245.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.752 - 3.600
R-factor	0.3294
Rwork	0.329
R-free	0.34130
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.593
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	SHARP
Refinement software	PHENIX (1.8_1056)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.874	81.797	3.790
High resolution limit [Å]	3.600	11.380	3.600
Rmerge		0.047	0.852
Number of reflections	13408
<I/σ(I)>	6.2	9.5	0.9
Completeness [%]	92.8	87.5	96.4
Redundancy	3.4	2.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% Ethanol, Na Cacodylate 100mM pH7, NaI 15mM, VAPOR DIFFUSION, HANGING DROP, temperature 293K