1D3C

MICHAELIS COMPLEX OF BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE WITH GAMMA-CYCLODEXTRIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1997-02-26
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	117.791, 109.532, 65.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.780
R-factor	0.222
Rwork	0.220
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cxi
RMSD bond length	0.006
RMSD bond angle	17.083 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.062	0.285
Number of reflections	78720
<I/σ(I)>	18.9	3.6
Completeness [%]	97.3	71
Redundancy	5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.55 *	298	60 % MPD, 100 MM TRIS PH 8.1, pH 10.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	MPD	60 (%(v/v))
2	1	1	HEPES	100 (mM)
3	1	1	maltose	5.0 (%(w/v))