6RBP

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine 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	CCD
Collection date	2008-09-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97921
Spacegroup name	I 2 2 2
Unit cell lengths	62.970, 74.670, 118.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.650 - 2.473
R-factor	0.2143
Rwork	0.212
R-free	0.23660
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.650	55.650	2.570
High resolution limit [Å]	2.470	8.910	2.470
Rmerge	0.103	0.033	0.932
Rmeas	0.120	0.040	1.081
Rpim	0.061	0.022	0.541
Total number of observations	38984	832	4519
Number of reflections	10375	254	1168
<I/σ(I)>	9.6	33.3	1.5
Completeness [%]	99.8	98.2	99.9
Redundancy	3.8	3.3	3.9
CC(1/2)	0.995	0.990	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5	291.15	30 mM NaBr, 220 mM Kcitrate, glycerol 6%, 15-16% w/v PEG400