1Q6F

Crystal Structure of Soybean Beta-Amylase Mutant (E178Y) with Increased pH Optimum at pH 7.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1999-01-31
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	86.818, 86.818, 145.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.171
Rwork	0.171
R-free	0.20900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.250 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.650	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.084 *	0.593 *
Total number of observations	203117 *
Number of reflections	39656	2499 *
Completeness [%]	89.4	55.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4 *	4 *	ammonium sulfate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	24 (mg/ml)
2	1	drop	sodium acetate	0.1 (M)	pH5.4
3	1	reservoir	ammonium sulfate	48 (%)
4	1	reservoir	sodium acetate	0.1 (M)
5	1	reservoir	EDTA	1 (mM)
6	1	reservoir	2-mercaptoethanol	18 (mM)	pH5.4