3WY4

Crystal structure of alpha-glucosidase mutant E271Q in complex with maltose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	111.464, 181.062, 51.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.460 - 2.500
R-factor	0.2037
Rwork	0.202
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.789
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	2.440
High resolution limit [Å]	2.300	6.840	2.300
Rmerge	0.119	0.029	0.933
Number of reflections	47037
<I/σ(I)>	12	40.9	1.5
Completeness [%]	98.6	95.9	93.2
Redundancy	4.7	4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% Polyacrylic acid 5100, 0.1M HEPES, 0.02M magnesium chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K