3VX1

Crystal Structure of alpha-Amylase from Aspergillus oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-08-30
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	50.368, 66.678, 131.551
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.200
R-factor	0.208
Rwork	0.208
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2taa
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	0.336
Number of reflections	23047
<I/σ(I)>	9.4	5.64
Completeness [%]	98.6	96.1
Redundancy	6.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Oil-microbatch method	5.8	293	PEG 8000, CaCl2, pH 5.8, Oil-microbatch method, temperature 293K