2QSZ

Human nicotinamide riboside kinase 1 in complex with nicotinamide mononucleotide

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	2007-01-26
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	55.921, 142.342, 62.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.640 - 1.900
Rwork	0.217
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qsy
RMSD bond length	0.015
RMSD bond angle	1.323
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.138	0.061	0.901
Number of reflections	19738
<I/σ(I)>	6.4
Completeness [%]	99.1	97.9	98.1
Redundancy	4.8	5	4.2

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