4X9Y

Wild-Type Human Pancreatic Alpha-Amylase at True Atomic Resolution (1.07 A)

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	2014-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	52.200, 67.750, 130.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.052 - 1.070
R-factor	0.1136
Rwork	0.113
R-free	0.13190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hny
RMSD bond length	0.007
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.100
High resolution limit [Å]	1.070	1.070
Rmerge	0.048	0.510
Number of reflections	196249
<I/σ(I)>	16.18	1.82
Completeness [%]	96.5	71.1
Redundancy	4.76	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	58% MPD, 100 mM sodium cacodylate, Quercitrin was added to saturating conditions into the crystal droplet.