1KCL

Bacillus ciruclans strain 251 Cyclodextrin glycosyl transferase mutant G179L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2001-09-01
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	114.714, 109.473, 65.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.500 - 1.940
R-factor	0.152 *
Rwork	0.171
R-free	0.18600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d3c
RMSD bond length	0.005
RMSD bond angle	1.280 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.990
High resolution limit [Å]	1.940	1.940
Rmerge	0.116	0.372
Number of reflections	60480
<I/σ(I)>	11.5	3.2
Completeness [%]	97.5	96.6
Redundancy	4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.55 *	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)	pH7.55
3	1	drop	alpha-cyclodextrin	10-20 (mg/ml)