1Y3H

Crystal Structure of Inorganic Polyphosphate/ATP-NAD kinase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2002-10-04
Detector	SIEMENS HI-STAR
Spacegroup name	C 1 2 1
Unit cell lengths	140.176, 69.443, 106.433
Unit cell angles	90.00, 130.29, 90.00

Refinement procedure

Resolution	9.960 - 2.800
R-factor	0.235
Rwork	0.221
R-free	0.23500
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	SADIE
Data scaling software	SAINT
Phasing software	PHASES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.890
High resolution limit [Å]	2.800	2.800
Number of reflections	18419
Completeness [%]	91.2	78.39
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 4000, Sodium 2-morpholinoethanesulfonic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K