6RBX

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	2008-02-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93300
Spacegroup name	I 2 2 2
Unit cell lengths	63.340, 75.710, 119.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.725 - 2.470
R-factor	0.2182
Rwork	0.214
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.761	63.945	2.590
High resolution limit [Å]	2.460	7.780	2.460
Rmerge	0.082	0.035	0.502
Rmeas	0.101	0.047	0.672
Rpim	0.055	0.032	0.317
Total number of observations	36785	836	6539
Number of reflections	10620	371	1532
<I/σ(I)>	8.4	29.2	1.2
Completeness [%]	99.0	97.6	99.7
Redundancy	3.5	2.3	4.3

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