4LTT

Crystal structure of native apo toxin from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	26.656, 36.589, 87.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 1.280
R-factor	0.18124
Rwork	0.180
R-free	0.21164
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ls4
RMSD bond length	0.023
RMSD bond angle	2.165
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.280
Number of reflections	21963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	PEG 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K