6M4L

X-ray crystal structure of the E249Q mutant of 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	2018-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	96.897, 96.897, 121.957
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.958 - 1.600
R-factor	0.168807930266
Rwork	0.168
R-free	0.19033
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m4k
RMSD bond length	0.006
RMSD bond angle	0.837
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]	49.330	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.528
Rmeas	0.058	0.609
Number of reflections	87577	4250
<I/σ(I)>	20.1	3.5
Completeness [%]	100.0	99.6
Redundancy	7.9	7.8
CC(1/2)	0.999	0.897

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 sulfate, 0.1 M sodium acetate