4AEF

THE CRYSTAL STRUCTURE OF THERMOSTABLE AMYLASE FROM THE PYROCOCCUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	95
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 41
Unit cell lengths	150.065, 150.065, 67.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.430 - 2.340
R-factor	0.211
Rwork	0.211
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j0h
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.430	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.070	0.250
Number of reflections	61332
<I/σ(I)>	22.9	5.87
Completeness [%]	95.8	98.6
Redundancy	5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		2% POLYETHYLENE GLYCOL (PEG)400, 2M AMMONIUM SULFATE, 0.1M HEPES BUFFER PH 7.5