1MXG

Crystal Structure of a (Ca,Zn)-dependent alpha-amylase from the hyperthermophilic archaeon Pyrococcus woesei in complex with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-04-05
Detector	MARRESEARCH
Wavelength(s)	0.8453
Spacegroup name	P 21 21 21
Unit cell lengths	51.480, 76.507, 136.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.159
Rwork	0.159
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mwo
RMSD bond length	0.005
RMSD bond angle	1.270
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000 *
High resolution limit [Å]	1.520	1.520 *
Rmerge	0.040	0.209 *
Number of reflections	75292
<I/σ(I)>	39.9
Completeness [%]	89.8	69 *
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	ethanol, tris, magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	Tris	0.1 (M)	pH8.5
3	1	reservoir		0.05 (M)
4	1	reservoir	ethanol	40 (%(v/v))