2D3N

Crystal structure of maltohexaose-producing amylase from Bacillus sp.707 complexed with maltohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-18
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	47.630, 82.690, 126.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.155
Rwork	0.155
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native structure (1WP6)
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.048	0.156
Number of reflections	40560
Completeness [%]	98.7	95.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	MPD, Tris-HCl, Ammonium Phosphate, Calcium chloride, Sodium chloride, Maltohexaose, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K