1K4K

Crystal structure of E. coli Nicotinic acid mononucleotide adenylyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	58.435, 66.528, 72.855
Unit cell angles	72.68, 88.77, 69.55

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.21
Rwork	0.210
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.045	0.250
Total number of observations	169804 *
Number of reflections	62463
<I/σ(I)>	20.9	4
Completeness [%]	96.4	81.9
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	293	Na Citrate, sodium chloride, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	293	Na Citrate, sodium chloride, Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K

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	reservoir	Tris	0.1 (M)	pH7.0
6	1	reservoir		0.2 (M)
7	1	reservoir	sodium citrate	0.8 (M)