1V3M

Crystal structure of F283Y mutant cyclodextrin glycosyltransferase complexed with a pseudo-tetraose derived from acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	CCD
Collection date	2001-06-18
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	64.090, 73.600, 78.300
Unit cell angles	84.93, 105.12, 101.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.167
Rwork	0.163
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pam
RMSD bond length	0.013
RMSD bond angle	2.760
Data reduction software	FFFEAR
Data scaling software	FFFEAR
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.900	1.880
High resolution limit [Å]	1.820	1.820
Rmerge	0.095
Number of reflections	103110
Redundancy	2.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	PEG3000, SODIUM CITRATE, 2-PROPANOL, CALCIUM CHLORIDE, ACARBOSE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K