4OY3

Crystal Structure of the Helicobacter pylori MTAN-D198N mutant with S-Adenosylhomocysteine in the active site

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	2009-11-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 32 2 1
Unit cell lengths	80.733, 80.733, 67.199
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.019 - 1.200
R-factor	0.1299
Rwork	0.130
R-free	0.14510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.390
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	75266
<I/σ(I)>	16	4.1
Completeness [%]	95.0	92.6
Redundancy	10.9	10.7

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 pH 7.5 and 30 % (v/v) PEG-MME 550.