6TP2

Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with beta-cyclodextrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2017-01-17
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	82.940, 82.940, 187.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 1.940
R-factor	0.1723
Rwork	0.171
R-free	0.20000
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6toy
RMSD bond length	0.011
RMSD bond angle	1.461
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.31)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	1.970
High resolution limit [Å]	1.930	1.930
Rmerge	0.184	0.804
Rmeas	0.197	0.871
Rpim	0.071	0.328
Number of reflections	49463	2544
<I/σ(I)>	7.8
Completeness [%]	98.5	77.1
Redundancy	7.6	6.7
CC(1/2)	0.993	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	41 - 46 % Tacsimate, 10 mM CaCl2