3WY2

Crystal structure of alpha-glucosidase in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.219, 103.809, 176.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.085 - 1.471
R-factor	0.1574
Rwork	0.156
R-free	0.17910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.560
High resolution limit [Å]	1.470	4.400	1.470
Rmerge	0.052	0.023	0.539
Number of reflections	197034
<I/σ(I)>	25.2	73.7	3.9
Completeness [%]	99.8	99.5	98.9
Redundancy	7.3	6.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	22% PEG 6000, 0.1M HEPES, 0.5M lithium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K