1QGO

ANAEROBIC COBALT CHELATASE IN COBALAMIN BIOSYNTHESIS FROM SALMONELLA TYPHIMURIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1998-03-01
Detector	MARRESEARCH
Spacegroup name	P 63 2 2
Unit cell lengths	128.097, 128.097, 84.765
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.1956 *
Rwork	0.208
R-free	0.27100
Structure solution method	MIRAS
RMSD bond length	0.009
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.087	0.310
Number of reflections	16597 *
<I/σ(I)>	15	4
Completeness [%]	99.5	99.8
Redundancy	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5		10-15% PEG (MW 4000), 0.2 M LI2SO4, 0.1 M TRIS PH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	PEG4000	10-15 (%)
3	1	reservoir	Tris	0.1 (M)
4	1	reservoir		0.2 (M)