1Y3I

Crystal Structure of Mycobacterium tuberculosis NAD kinase-NAD complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-22
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 62
Unit cell lengths	110.450, 110.450, 108.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.600
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	0.029
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.065
Number of reflections	22375
Completeness [%]	97.5	86.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Ammonium sulfate, HEPES-Na, NAD, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K