4E2O

Crystal structure of alpha-amylase from Geobacillus thermoleovorans, GTA, complexed with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-11-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	122.960, 122.960, 55.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.926 - 2.103
R-factor	0.1636
Rwork	0.162
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7taa
RMSD bond length	0.007
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000		2.160
High resolution limit [Å]	2.100	9.400	2.100
Rmerge	0.083	0.022	0.354
Rmeas		0.026	0.424
Number of reflections	27917	315	2019
<I/σ(I)>	11.91	38.52	3.14
Completeness [%]	99.2	91.8	97
Redundancy	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	15% PEG 6000, 0.1M sodium citrate, 20mM acarbose, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K