1OT1

Bacillus circulans strain 251 Cyclodextrin glycosyl transferase mutant D135A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	120
Detector technology	CCD
Collection date	2002-10-22
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	116.940, 109.765, 67.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.900 - 2.000
R-factor	0.152
Rwork	0.152
R-free	0.18100
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]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.023	0.073
Total number of observations	437820 *
Number of reflections	59255 *
<I/σ(I)>	50.9	15.5
Completeness [%]	99.4	97.4

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))