1DTU

BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE: A MUTANT Y89D/S146P COMPLEXED TO AN HEXASACCHARIDE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-03-01
Detector	MACSCIENCE
Spacegroup name	P 21 21 21
Unit cell lengths	120.445, 111.160, 65.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.209
Rwork	0.206
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1CXG
RMSD bond length	0.002
RMSD bond angle	17.135 *
Data reduction software	BIOMOL
Data scaling software	XDS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.860	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.075	0.256
Total number of observations	126519 *
Number of reflections	32700
<I/σ(I)>	10.4
Completeness [%]	92.7	88.8
Redundancy	3.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	298	60 % MPD, 100 MM TRIS PH 7.1, 5% (w/v) maltose, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	60 (%(v/v))
2	1	reservoir	HEPES	100 (mM)
3	1	reservoir	maltose	5 (%(w/v))