5VA9

Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 43 21 2
Unit cell lengths	169.920, 169.920, 79.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.595 - 2.550
R-factor	0.1976
Rwork	0.196
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x9y
RMSD bond length	0.003
RMSD bond angle	0.601
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.224	0.916
Number of reflections	37249	2574
<I/σ(I)>	9.43	2.02
Completeness [%]	96.9	92
Redundancy	11.38	9.45
CC(1/2)	0.991	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	MPD 54%, 0.1 M sodium cacodylate.