1VB9

Crystal structure of Thermoactinomyces vulgaris R-47 alpha-amylase II (TVA II) complexed with transglycosylated product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-11
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	113.049, 118.274, 112.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.990 - 2.200
R-factor	0.194
Rwork	0.194
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ji2
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.053	0.236
Number of reflections	76785
Completeness [%]	99.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	PEG6000, calcium chloride, Tris, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K