1SUW

Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with its substrate and product: Insights into the catalysis of NAD kinase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9796, 0.9798, 0.9600
Spacegroup name	P 41 21 2
Unit cell lengths	122.141, 122.141, 198.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.450
R-factor	0.213
Rwork	0.211
R-free	0.25220
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.743
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.450	2.450
Number of reflections	62750
Completeness [%]	99.2	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	50mM Hepes, 2M NaCl, 10% PEG 6000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K