1UA7

Crystal Structure Analysis of Alpha-Amylase from Bacillus Subtilis complexed with Acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	70.320, 74.204, 115.724
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.210
R-factor	0.208
Rwork	0.208
R-free	0.26500
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.200
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.490	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.097	0.239
Number of reflections	31194
<I/σ(I)>	22.9	7.7
Completeness [%]	93.7	93.7
Redundancy	3.46	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	PEG 3350, calcium chloride, Tris-HCl, acarbose, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K