1XNH

Crystal Structure of NH3-dependent NAD+ synthetase from Helicobacter pylori

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	294
Detector technology	CCD
Collection date	2001-11-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9794, 0.9793, 0.9716
Spacegroup name	C 1 2 1
Unit cell lengths	93.830, 48.320, 64.200
Unit cell angles	90.00, 109.97, 90.00

Refinement procedure

Resolution	26.740 - 2.300
R-factor	0.259
Rwork	0.255
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.740	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	12154
Completeness [%]	14.3	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	sodium acetate, PEG 1500, magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	sodium acetate, PEG 1500, magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	sodium acetate, PEG 1500, magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K