7P4W

Crystal structure of alpha-amylase from Aspergillus oryzae in space group I222

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	I 2 2 2
Unit cell lengths	65.725, 140.402, 154.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.910 - 2.280
R-factor	0.231
Rwork	0.228
R-free	0.28510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6taa
RMSD bond length	0.008
RMSD bond angle	1.138
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	REFMAC (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.920	2.320
High resolution limit [Å]	2.280	2.280
Rmerge	9.900	2.270
Rmeas	4.900	2.530
Rpim	0.170	1.100
Number of reflections	32915	1549
<I/σ(I)>	9.2	0.4
Completeness [%]	99.7
Redundancy	9.2
CC(1/2)	0.990	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 20k, 20% PEG 500mme, 0.1 M MES/Imidazole pH 6.5, 20 mM of each Polyamine (Morpheus Fusion screen, well H11)