6RC0

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 ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93340
Spacegroup name	I 2 2 2
Unit cell lengths	62.110, 78.190, 117.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.522 - 2.750
R-factor	0.2275
Rwork	0.226
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.658
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.520	2.570
High resolution limit [Å]	2.470	2.470
Rmerge	0.193	1.178
Rmeas	0.214	1.302
Rpim	0.091	0.627
Total number of observations	52342
Number of reflections	9737	1035
<I/σ(I)>	7
Completeness [%]	91.4	99.9
Redundancy	5.4	5.5
CC(1/2)	0.994	0.454

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