3OLE

Structures of human pancreatic alpha-amylase in complex with acarviostatin II03

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	52.325, 67.881, 130.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.160 - 1.550
R-factor	0.166
Rwork	0.166
R-free	0.17800
Structure solution method	SAD
Starting model (for MR)	1b2y
RMSD bond length	0.005
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.160	1.590
High resolution limit [Å]	1.550	1.550
Number of reflections	67254
Completeness [%]	98.1	84.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	60% 2-methylpentan-2,4 diol, 100mM cacodylate pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K