5EJF

Crystal structure of NAD kinase P101A 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	67.042, 119.174, 67.593
Unit cell angles	90.00, 100.98, 90.00

Refinement procedure

Resolution	34.776 - 2.120
R-factor	0.2145
Rwork	0.212
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i1w
RMSD bond length	0.011
RMSD bond angle	1.239
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.355	34.776	2.230
High resolution limit [Å]	2.040	6.700	2.120
Rmerge		0.052	0.633
Rmeas	0.119
Rpim	0.048	0.023	0.294
Total number of observations	351556	11537	45655
Number of reflections	58778
<I/σ(I)>	11.2	27.6	2.6
Completeness [%]	99.6	99.4	98.5
Redundancy	6	6.1	5.4

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, 14-16% w/v polyethylene glycol 400