3V8Q

Crystal structure of NAD kinase 1 H223E mutant from Listeria monocytogenes in complex with 5'-amino-5'-deoxyadenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	I 2 2 2
Unit cell lengths	63.169, 75.060, 118.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.331 - 2.370
R-factor	0.207
Rwork	0.206
R-free	0.25070
Structure solution method	Isomorphous replacement
RMSD bond length	0.002
RMSD bond angle	0.574
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]	48.450	2.410
High resolution limit [Å]	2.290	2.290
Number of reflections	11844
Completeness [%]	100.0	100
Redundancy	3.9	4

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