2QSY

Human nicotinamide riboside kinase 1 in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97931
Spacegroup name	C 2 2 21
Unit cell lengths	54.453, 142.070, 62.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.510 - 1.950
R-factor	0.222
Rwork	0.219
R-free	0.26300
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.460
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.122	0.061	0.709
Number of reflections	19430
<I/σ(I)>	6.4
Completeness [%]	99.6	99.8	96.6
Redundancy	6.9	6.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	20% PEG 3350, 0.2M Sodium phosphate monobasic, 0.15M D(+)sucrose, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K