6Z64

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	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	I 2 2 2
Unit cell lengths	62.846, 74.170, 118.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.950 - 1.890
R-factor	0.2078
Rwork	0.205
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rg9
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.950	47.950	2.020
High resolution limit [Å]	1.890	5.300	1.890
Rmerge	0.055	0.019	1.368
Rmeas	0.061	0.021	1.511
Total number of observations	119667
Number of reflections	22467	1117	4031
<I/σ(I)>	14.06	48.87	1.31
Completeness [%]	99.5	98.9	99.7
Redundancy	5.326	5.13	5.567
CC(1/2)	0.999	1.000	0.694

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