1DIO

DIOL DEHYDRATASE-CYANOCOBALAMIN COMPLEX FROM KLEBSIELLA OXYTOCA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1998-03
Spacegroup name	P 21 21 21
Unit cell lengths	76.200, 122.300, 209.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.188
Rwork	0.187
R-free	0.23600
Structure solution method	MIR
RMSD bond length	0.014
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.052	0.194
Total number of observations	384295 *
Number of reflections	86302
<I/σ(I)>	10.51	2.32
Completeness [%]	83.5	64.5
Redundancy	2.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sandwich-drop vapor diffusion *	8	4 *	pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	15 (%(w/v))
2	1	reservoir	ammonium sulfate	0.24 (M)
3	1	reservoir	Tris-HCl	20 (mM)
4	1	reservoir	LDAO	0.20 (%)