1JF5

CRYSTAL STRUCTURE OF THERMOACTINOMYCES VULGARIS R-47 ALPHA-AMYLASE 2 MUTANT F286A

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	2000-11-27
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	112.600, 118.050, 113.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.390 - 3.200
R-factor	0.213 *
Rwork	0.214
R-free	0.27500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	24.900 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	3.200
Rmerge	0.122
Total number of observations	130745 *
Number of reflections	25420
<I/σ(I)>	6.2
Completeness [%]	99.8
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	11 *	Kamitori, S., (1999) J.Mol.Biol., 287, 907. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	2 (%(w/v))
2	1	reservoir		2.5 (mM)
3	1	reservoir	MES	20 (mM)
4	1	drop	protein	20 (mg/ml)