1M4I

Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with Coenzyme A and Kanamycin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2002-01-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	48.800, 86.600, 98.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.500
Rwork	0.183
R-free	0.20200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1M44
RMSD bond length	0.025 *
RMSD bond angle	2.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.500	1.500
Rmerge	0.031 *	0.110 *
Number of reflections	62407 *
<I/σ(I)>	17.3	6.1
Completeness [%]	92.4	84.1 *
Redundancy	2.6	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	298	Ammonium Sulfate, ADA, Coenzyme A, Kanamycin A, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	CoA	20 (mM)
2	1	1	aminoglycoside	20 (mM)
3	1	1	ADA	100 (mM)	pH6.5
4	1	1	ammonium sulfate	0.8 (M)