1OT2

Bacillus circulans strain 251 Cyclodextrin glycosyl transferase mutant D135N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-12-02
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	116.909, 109.694, 67.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.880 - 2.100
R-factor	0.148
Rwork	0.148
R-free	0.18400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d3c
RMSD bond length	0.005
RMSD bond angle	24.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.067	0.275
Total number of observations	526845 *
Number of reflections	50669
<I/σ(I)>	17.6	4.4
Completeness [%]	98.3	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	295	Lawson, C.L., (1994) J. Mol. Biol., 236, 590. *

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)	pH7.5
3	1	reservoir	maltose	5 (%(w/v))