1EGV

CRYSTAL STRUCTURE OF THE DIOL DEHYDRATASE-ADENINYLPENTYLCOBALAMIN COMPLEX FROM KLEBSELLA OXYTOCA UNDER THE ILLUMINATED CONDITION.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-12
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	73.380, 121.400, 207.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.750
R-factor	0.155
Rwork	0.152
R-free	0.21400
RMSD bond length	0.006
RMSD bond angle	0.023
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.119
Total number of observations	2393925 *
Number of reflections	151116
<I/σ(I)>	18.37
Completeness [%]	80.0	54.1
Redundancy	4.65	3.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, sandwich drop *	8	277	Masuda, J., (1999) Acta Crystallogr, D55, 907. *

Crystallization Reagents in Literatures

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