3V80

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 5'-O-Propargylamino-5'-deoxyadenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93300
Spacegroup name	I 2 2 2
Unit cell lengths	62.961, 75.172, 118.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.586 - 2.030
R-factor	0.1852
Rwork	0.184
R-free	0.22560
Structure solution method	Isomorphous replacement
RMSD bond length	0.008
RMSD bond angle	1.098
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.500	2.140
High resolution limit [Å]	2.030	2.030
Number of reflections	17958
Completeness [%]	98.5	91.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291.15	30 mM sodium bromide, 220 mM potassium citrate, pH 4.8-5.1, glycerol 6%, 15-16% w/v polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K