1G94

CRYSTAL STRUCTURE ANALYSIS OF THE TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA AMYLASE FROM PSEUDOALTEROMONAS HALOPLANCTIS IN COMPLEX WITH A HEPTA-SACCHARIDE AND A TRIS MOLECULE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	277
Detector technology	CCD
Collection date	1996-02-28
Detector	THOMSON/PRINCETON
Wavelength(s)	0.9828
Spacegroup name	C 2 2 21
Unit cell lengths	71.010, 139.960, 115.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.700 - 1.740
R-factor	0.1564 *
Rwork	0.156
R-free	0.18730 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1aqh
RMSD bond length	0.007
RMSD bond angle	1.660 *
Data reduction software	ROTAVATA
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700
High resolution limit [Å]	1.740
Rmerge	0.056
Total number of observations	110412 *
Number of reflections	45586
<I/σ(I)>	9.7
Completeness [%]	76.6 *	34.8 *
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	Aghajari, N., (1996) Protein Sci., 5, 2128. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	60 (%)
2	1	reservoir	Tris	0.1 (M)