2GUY

Orthorhombic crystal structure (space group P21212) of Aspergillus niger alpha-amylase at 1.6 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91835
Spacegroup name	P 21 21 2
Unit cell lengths	102.799, 63.228, 74.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.590
R-factor	0.16527
Rwork	0.164
R-free	0.19623
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7taa
RMSD bond length	0.014
RMSD bond angle	1.483
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.660
High resolution limit [Å]	1.590	1.590
Rmerge	0.079	0.556
Number of reflections	65130
Completeness [%]	98.6	90.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	296	30% PEG 8000, 0.2M Na-acetate, 0.1M Na-cacodylate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K