5WQU

Crystal structure of Sweet Potato Beta-Amylase complexed with Maltotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	128.547, 128.547, 66.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.900 - 2.490
R-factor	0.1704
Rwork	0.166
R-free	0.24504
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wqs
RMSD bond length	0.014
RMSD bond angle	1.811
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.900	50.000	2.590
High resolution limit [Å]	2.490	5.380	2.500
Rmerge	0.144	0.108	0.722
Number of reflections	19723
<I/σ(I)>	6.7
Completeness [%]	98.7	96.6	99.5
Redundancy	4.6	4.4	4.5
CC(1/2)		0.977	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	0.1M Na Acetate (pH 5.5), 0.05M Tris (pH 7.5), 0.01M NaCl, 2% Isopropanol and 18% PEG 4000