1UKP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-17
Detector	OXFORD PX210
Wavelength(s)	0.900
Spacegroup name	P 1
Unit cell lengths	75.463, 78.801, 88.560
Unit cell angles	89.92, 90.21, 89.90

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.2
Rwork	0.200
R-free	0.23450 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1byb
RMSD bond length	0.006
RMSD bond angle	1.273 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.980	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.121	0.383
Total number of observations	335804 *
Number of reflections	137751	13776 *
Completeness [%]	95.4	95.3
Redundancy	2.44

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 277.0K

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