6M4K

X-ray crystal structure of wild type alpha-amylase I from Eisenia fetida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	96.245, 96.245, 121.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.220 - 1.300
R-factor	0.167933873213
Rwork	0.167
R-free	0.18327
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kxq
RMSD bond length	0.005
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.220	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.050	0.858
Rmeas	0.056	0.965
Number of reflections	160191	7805
<I/σ(I)>	20.2	2.6
Completeness [%]	100.0	100
Redundancy	9.9	9.4
CC(1/2)	0.999	0.847

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	1.3 M lithium sulfate, 3% (v/v) PEG 400, 0.1 M magnesium chloride, 0.1 M sodium acetate