6TOY

Crystal structure of Bacillus paralicheniformis wild-type alpha-amylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2016-10-31
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	83.500, 83.500, 188.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 1.950
R-factor	0.1715
Rwork	0.170
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bli
RMSD bond length	0.011
RMSD bond angle	1.477
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.130	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.125	0.828
Rmeas	0.135	0.894
Rpim	0.050	0.328
Number of reflections	49554	3415
<I/σ(I)>	10.5
Completeness [%]	100.0	99.9
Redundancy	6.9	6.8
CC(1/2)	0.992	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	42 -46 % Tacsimate, 10 mM CaCl2