1JH8

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	1999-10-06
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 2
Unit cell lengths	71.600, 90.000, 47.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.175 *
Rwork	0.175
R-free	0.25600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d0s
RMSD bond length	0.010
RMSD bond angle	1.920
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	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.042	0.141
Number of reflections	25292
<I/σ(I)>	15.5	2.7
Completeness [%]	86.6	64.4
Redundancy	2.9	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	1.4 M 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)