1D0S

CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE : 5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH 5, 6-DIMETHYLBENZIMIDAZOLE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	274
Detector technology	AREA DETECTOR
Collection date	1998-08-03
Detector	ENRAF-NONIUS
Spacegroup name	P 21 21 2
Unit cell lengths	72.100, 90.200, 47.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.172 *
Rwork	0.172
RMSD bond length	0.009
RMSD bond angle	1.860
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.980
High resolution limit [Å]	1.900	1.880
Rmerge	0.065
Number of reflections	24807
<I/σ(I)>	13.6
Completeness [%]	90.8	64.7
Redundancy	3.9	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	1.3 M NH4H2PO4/(NH4)2HPO4, 1 MM 5,6-DIMETHYLBENZIMIDAZOLE, 4 % POLYETHYLENEGLYCOL 400, pH 6.0, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	ammonium phosphate	1.3 (M)
3	1	reservoir	DMB	1 (mM)
4	1	reservoir	PEG400	4 (%)