8QGA

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 ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	62.990, 74.660, 118.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.340 - 2.390
R-factor	0.2246
Rwork	0.223
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.611
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.056	4.693
Rmeas	0.064	5.452
Rpim	0.031	2.688
Total number of observations	56242	4804
Number of reflections	13674	1210
<I/σ(I)>	14.6	0
Completeness [%]	98.0
Redundancy	4.1	4
CC(1/2)	0.999	0.891

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