5EJI

Crystal structure of NAD kinase W78F mutant from Listeria monocytogenes in complex with NADP/Mn++/PPi

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	I 2 2 2
Unit cell lengths	63.466, 74.389, 119.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.080 - 2.292
R-factor	0.1789
Rwork	0.177
R-free	0.23690
RMSD bond length	0.008
RMSD bond angle	1.071
Data scaling software	SCALA (3.3.21)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.069	63.069	2.410
High resolution limit [Å]	1.829	7.240	2.290
Rmerge		0.029	0.561
Rmeas	0.079
Rpim	0.039	0.020	0.363
Total number of observations	53269	1617	7772
Number of reflections	13007
<I/σ(I)>	12.5	47.2	1.9
Completeness [%]	100.0	99.7	100
Redundancy	4.1	3.5	4.1

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