1IWP

Glycerol Dehydratase-cyanocobalamin Complex of Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-19
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.816
Spacegroup name	P 1 21 1
Unit cell lengths	81.380, 108.223, 113.141
Unit cell angles	90.00, 96.75, 90.00

Refinement procedure

Resolution	45.000 - 2.100
Rwork	0.209
R-free	0.24800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB id 1dio
RMSD bond length	0.006
RMSD bond angle	21.484 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.175	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.097 *	0.380 *
Total number of observations	958394 *
Number of reflections	130635 *
<I/σ(I)>	4.8
Completeness [%]	99.6	97.6
Redundancy	3.6	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sandwich-drop vapor diffusion *	8	4 *	Shibata, N., (1999) Structure, 7, 997. *

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)