1UKO

Crystal structure of soybean beta-amylase mutant substituted at surface region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-11-27
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	75.100, 78.140, 87.944
Unit cell angles	89.93, 89.88, 90.08

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.183
Rwork	0.183
R-free	0.24080 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1byb
RMSD bond length	0.005
RMSD bond angle	1.249 *
Data reduction software	SCALE
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.240	2.180
High resolution limit [Å]	2.120 *	2.120 *
Rmerge	0.082 *	0.240 *
Total number of observations	314039 *
Number of reflections	99256	5461 *
Completeness [%]	83.9	46.3
Redundancy	3.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	4 *	ammonium sulfate, sodium acetate, 2-mercaptoethanol, EDTA, 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	10 (mg/ml)
2	1	reservoir	ammonium sulfate	45-50 (%)
3	1	reservoir	EDTA	1 (mM)
4	1	reservoir	2-ME	18 (mM)
5	1	reservoir	sodium acetate	0.1 (M)	pH5.4