6RC3

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)	0.979206
Spacegroup name	I 2 2 2
Unit cell lengths	62.830, 73.910, 118.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.955 - 2.315
R-factor	0.2115
Rwork	0.208
R-free	0.23790
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]	59.235	62.622	2.430
High resolution limit [Å]	2.310	7.300	2.310
Rmerge	0.058	0.021	0.505
Rmeas	0.072	0.033	0.639
Rpim	0.037	0.021	0.291
Total number of observations	48622	1031	8071
Number of reflections	12181	404	1773
<I/σ(I)>	10.8	35	1.7
Completeness [%]	98.3	92.5	99.7
Redundancy	4	2.6	4.6

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