1JI1

Crystal Structure Analysis of Thermoactinomyces vulgaris R-47 alpha-Amylase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-26
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	122.570, 50.840, 107.800
Unit cell angles	90.00, 104.20, 90.00

Refinement procedure

Resolution	20.000 * - 1.600
R-factor	0.182 *
Rwork	0.182
R-free	0.20600
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	24.800 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.600	1.600 *
Rmerge	0.061	0.219 *
Total number of observations	391238 *
Number of reflections	152851
Completeness [%]	89.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Kondo, S., (2000) Protein Pept. Letters, 7, 197., Kamitori, S., (1995) J. Struct. Biol., 114, 229. *