4OJT

Helicobacter pylori MTAN complexed with S-ribosylhomocysteine and adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 32 2 1
Unit cell lengths	81.241, 81.241, 67.456
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.798 - 1.500
R-factor	0.1831
Rwork	0.182
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.993
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	EPMR
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.062
Number of reflections	40628
<I/σ(I)>	46.389
Completeness [%]	98.5	97.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.05 M magnesium chloride hexahydrate, 0.1 M HEPES, 30 % (v/v) PEG-MME 550, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K