8QG6

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979288
Spacegroup name	I 2 2 2
Unit cell lengths	62.800, 75.360, 118.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.965 - 2.142
R-factor	0.1951
Rwork	0.194
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.709
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.580	2.200
High resolution limit [Å]	2.140	2.140
Rmerge	0.102	0.588
Rmeas	0.111	0.657
Rpim	0.043	0.287
Total number of observations	91783	6409
Number of reflections	14311	1271
<I/σ(I)>	10.8	1.7
Completeness [%]	90.4
Redundancy	6.4	5
CC(1/2)	0.992	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	30 mM NaBr, 220 mM Kcitrate, glycerol 6%, 15-16% w/v PEG400