1K4M

Crystal structure of E.coli nicotinic acid mononucleotide adenylyltransferase complexed to 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	2001-06-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	114.830, 113.930, 115.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.206
Rwork	0.206
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4k
RMSD bond length	0.011 *
RMSD bond angle	1.610 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.900
Rmerge	0.056 *	0.355 *
Total number of observations	180068 *
Number of reflections	57802
Completeness [%]	95.5	67.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	20 *	Na citrate, NaCl, Tris, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	HEPES	50 (mM)	pH7.2
3	1	drop		150 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop	NaAD	5 (mM)
6	1	reservoir	Tris	0.1 (M)	pH7.0
7	1	reservoir		0.2 (M)
8	1	reservoir	sodium citrate	0.8 (M)