1JHA

Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	278
Detector technology	AREA DETECTOR
Collection date	2000-11-10
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 2
Unit cell lengths	71.640, 89.920, 47.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.178 *
Rwork	0.178
R-free	0.27500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1dos
RMSD bond length	0.009
RMSD bond angle	1.780
Data reduction software	XDS
Data scaling software	XDS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.051	0.132
Number of reflections	20370
<I/σ(I)>	11.4	3.3
Completeness [%]	89.0 *	68.8 *
Redundancy	3.1	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	Ammonium Phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		100 (mM)
4	1	reservoir	ammonium phosphate	1.4 (M)