5WQS

Crystal structure of Apo Beta-Amylase from Sweet potato

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	2015-11-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 42 21 2
Unit cell lengths	128.347, 128.347, 66.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.760 - 1.900
R-factor	0.1678
Rwork	0.166
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fa2
RMSD bond length	0.018
RMSD bond angle	1.927
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]	90.760	30.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.093	0.054	0.683
Number of reflections	44300
<I/σ(I)>	7.5
Completeness [%]	99.6	99.3	97.8
Redundancy	7.8	7.5	6.6
CC(1/2)		0.997	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	293	0.1M Sodium acetate (pH 5.5), 0.05M Tris (pH 7.5), 0.01M NaCl, 2% Isoproponal, 18% PEG 4000