2G2D

Crystal structure of a putative pduO-type ATP:cobalamin adenosyltransferase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	I 41 3 2
Unit cell lengths	131.318, 131.318, 131.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.000
R-factor	0.194
Rwork	0.194
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	13238
Completeness [%]	99.2	91.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M MES, 1.6M Ammonium Sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M MES, 1.6M Ammonium Sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M MES, 1.6M Ammonium Sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K