2QT0

Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-03-01
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	97.025, 97.025, 44.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.920
Rwork	0.209
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p0e
RMSD bond length	0.017
RMSD bond angle	1.416
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.990
High resolution limit [Å]	1.920	4.130	1.920
Rmerge	0.086	0.033	0.999
Number of reflections	31229
<I/σ(I)>	10.7
Completeness [%]	100.0	100	100
Redundancy	6.5	6.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	291	35% PEG 2000 MME, 0.1M Tris-HCl. The protein solution (40mg/mL) contained 0.01M Nicotinamide riboside, 0.01M AMPPNP and 0.02M Magnesium chloride, pH 8.0, VAPOR DIFFUSION, temperature 291K