2I29

Crystal structure of NAD kinase 1 from Listeria monocytogenes

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
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	62.503, 73.538, 118.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.860 - 2.100
R-factor	0.206
Rwork	0.205
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i1w
RMSD bond length	0.009
RMSD bond angle	1.478
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.140
High resolution limit [Å]	2.100
Rmerge	0.071
Number of reflections	15633
<I/σ(I)>	17.2
Completeness [%]	98.7
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4		0.3 M potassium chloride, 50 mM tri-sodium citrate dihydrate, 15-20% w/v polyethylene glycol 400, pH 5.4, VAPOR DIFFUSION, HANGING DROP