3WY3

Crystal structure of alpha-glucosidase mutant D202N in complex with glucose and glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-14
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	60.530, 119.570, 177.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.535 - 3.000
R-factor	0.2004
Rwork	0.198
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.665
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1391))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.180
High resolution limit [Å]	3.000	8.850	3.000
Rmerge	0.156	0.046	0.575
Number of reflections	26750
<I/σ(I)>	15.8	35.6	5.5
Completeness [%]	99.8	98.9	99
Redundancy	7.3	6.5	7.4

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