4W93

Human pancreatic alpha-amylase in complex with montbretin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	80
Detector technology	CCD
Collection date	2012-07-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.283574
Spacegroup name	P 21 21 21
Unit cell lengths	52.370, 74.100, 135.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.050 - 1.352
R-factor	0.1983
Rwork	0.198
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.292
Refinement software	PHENIX (1.9_1683)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.050	1.390
High resolution limit [Å]	1.352	1.350
Rmerge	0.057	0.887
Number of reflections	42888
<I/σ(I)>	16.67	1.47
Completeness [%]	99.0	88.9
Redundancy	6.3	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	58% MPD, 100 mM sodium cacodylate