3NM6

Helicobacter pylori MTAN complexed with adenine and tris

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]	95
Detector technology	CCD
Collection date	2009-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 32 2 1
Unit cell lengths	81.350, 81.350, 67.595
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.852 - 1.602
R-factor	0.1429
Rwork	0.141
R-free	0.17070
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.945
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600
Number of reflections	33924
<I/σ(I)>	11.5
Completeness [%]	97.7
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	16 % w/v PEG 8000, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K