1KQO

Crystal structure of NMN/NaMN adenylyltransferase complexed with deamido-NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	131.245, 90.391, 137.673
Unit cell angles	90.00, 117.17, 90.00

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.210
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012 *
RMSD bond angle	1.530 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.070 *	0.403 *
Total number of observations	275083 *
Number of reflections	95507
Completeness [%]	95.9	96.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	20 *	Na Formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	drop	HEPES	100 (mM)	pH7.2
3	1	drop		0.5 (M)
4	1	drop	dithiothreitol	2 (mM)
5	1	drop	EDTA	1 (mM)
6	1	drop	Brij-35	0.03 (%)
7	1	drop	NAD	10 (mM)
8	1	reservoir	sodium acetate	0.1 (M)	pH4.2-4.6
9	1	reservoir	sodium formate	1.6-1.8 (M)