2CBF

THE X-RAY STRUCTURE OF A COBALAMIN BIOSYNTHETIC ENZYME, COBALT PRECORRIN-4 METHYLTRANSFERASE, CBIF, FROM BACILLUS MEGATERIUM, WITH THE HIS-TAG CLEAVED OFF

Experimental procedure

Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-12
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	80.040, 80.040, 77.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.193 *
Rwork	0.183
R-free	0.28300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CBIF-FULL LENGTH CRYSTALLIZED IN PO4
RMSD bond length	0.011 *
RMSD bond angle	2.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.103 *	0.489 *
Number of reflections	5524
<I/σ(I)>	7.5
Completeness [%]	95.3 *	93.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6 *		pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium acetate	20 (mM)
2	1	1		100 (mM)
3	1	2	protein	16-20 (mg/ml)