1KKU

Crystal structure of nuclear human nicotinamide mononucleotide adenylyltransferase

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	2000-07-02
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	P 63 2 2
Unit cell lengths	147.459, 147.459, 61.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.234 *
Rwork	0.236
R-free	0.28600 *
Structure solution method	MIR
RMSD bond length	0.018
RMSD bond angle	2.000
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.075
Number of reflections	14056 *
Completeness [%]	99.8	99
Redundancy	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	ammonium sulfate, Tris, isopropanol, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	0.02 (M)	pH8.0
2	1	drop	ATP	2 (mM)
3	1	drop		2 (mM)
4	1	drop	protein	20 (mg/ml)
5	1	reservoir	ammonium sulfate	1.8 (M)
6	1	reservoir	Tris	0.1 (M)	pH8.1
7	1	reservoir	isopropyl alcohol	4 (%(v/v))