5EJG

Crystal structure of NAD kinase P252D mutant 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
Collection date	2006-09-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 1 21 1
Unit cell lengths	67.217, 119.655, 68.624
Unit cell angles	90.00, 100.92, 90.00

Refinement procedure

Resolution	18.637 - 2.877
R-factor	0.2205
Rwork	0.217
R-free	0.32440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i1w
RMSD bond length	0.010
RMSD bond angle	1.310
Data scaling software	SCALA (3.3.21)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.262	34.951	3.030
High resolution limit [Å]	2.870	9.080	2.870
Rmerge		0.072	0.632
Rmeas	0.201
Rpim	0.097	0.040	0.353
Total number of observations	92301	2745	13798
Number of reflections	23639
<I/σ(I)>	6.5	13.5	2
Completeness [%]	97.9	94.5	99.7
Redundancy	3.9	3.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	294	50 mM Sodium Bromide, 150 mM tri-sodium citrate dihydrate, pH 5.1-5.4, 14-16% w/v polyethylene glycol 400