2GJR

Structure of bacillus halmapalus alpha-amylase without any substrate analogues

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	120
Detector technology	CCD
Collection date	2005-06-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	38.550, 59.040, 209.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 2.100
R-factor	0.20189
Rwork	0.200
R-free	0.24216
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gjp
RMSD bond length	0.008
RMSD bond angle	1.106
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.100	2.100
Number of reflections	27805
Completeness [%]	89.9	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	303	10 mM MES-HEPES, boric acid buffer, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 303K