4X0N

Porcine pancreatic alpha-amylase in complex with helianthamide, a novel proteinaceous inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	43.750, 103.280, 111.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.888 - 2.600
R-factor	0.1838
Rwork	0.182
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pif
RMSD bond length	0.004
RMSD bond angle	0.882
Phasing software	CNS (1.3)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	49.190
High resolution limit [Å]	2.600
Rmerge	0.109
Number of reflections	15473
<I/σ(I)>	17.3
Completeness [%]	95.2
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	300	100 mM Tris, 8% PEG 8000