1Q6D

Crystal structure of Soybean Beta-Amylase Mutant (M51T) with Increased pH Optimum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1999-01-10
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	86.354, 86.354, 145.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 * - 2.000
R-factor	0.177
Rwork	0.177
R-free	0.21600 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.260 *
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	1.940
High resolution limit [Å]	1.880	1.880
Rmerge	0.073 *	0.483 *
Total number of observations	220571 *
Number of reflections	49751	3349 *
Completeness [%]	95.1	65.2

Crystallization Conditions

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