1EGM

CRYSTAL STRUCTURE OF DIOL DEHYDRATASE-CYANOCOBALAMIN COMPLEX AT 100K.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-03
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	74.000, 121.600, 207.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.850
R-factor	0.1817
Rwork	0.182
R-free	0.24300 *
RMSD bond length	0.006
RMSD bond angle	0.022
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]	40.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.072	0.134
Total number of observations	1939544 *
Number of reflections	142053 *
<I/σ(I)>	21.9
Completeness [%]	88.6	67.7
Redundancy	5.4	2.6

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 (%)