1JI2

Improved X-ray Structure of Thermoactinomyces vulgaris R-47 alpha-Amylase 2

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 21 21 21
Unit cell lengths	112.457, 117.684, 112.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 * - 2.300
R-factor	0.179 *
Rwork	0.179
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
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

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000 *
High resolution limit [Å]	2.300	2.300 *
Rmerge	0.062	0.227 *
Total number of observations	362110 *
Number of reflections	66868
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6 *	12 *	Kamitori, S., (1995) J.Struct.Biol., 114, 229. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	sodium phosphate	50 (mM)	pH6.0
3	1	reservoir	PEG6000	6.5 (%(w/v))