3GIO

Crystal structure of the TNF-alpha inducing protein (Tip alpha) from Helicobacter pylori

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97912, 0.97885, 0.96000
Spacegroup name	P 21 21 21
Unit cell lengths	53.519, 67.114, 91.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
Rwork	0.233
R-free	0.24100
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.422
Number of reflections	13650
<I/σ(I)>	42.9	7.2
Completeness [%]	100.0	100
Redundancy	15.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	100mM Tris-HCl (pH 7.0), 200mM calcium acetate, 20% (w/v) PEG 3000, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	7	295	100mM Tris-HCl (pH 7.0), 200mM calcium acetate, 20% (w/v) PEG 3000, VAPOR DIFFUSION, HANGING DROP, temperature 295K