3WEL

Sugar beet alpha-glucosidase with acarviosyl-maltotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-26
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	84.705, 97.886, 106.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.870 - 1.840
R-factor	0.1729
Rwork	0.172
R-free	0.19750
Structure solution method	rigid body refinement
Starting model (for MR)	3w37
RMSD bond length	0.007
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.870		1.950
High resolution limit [Å]	1.840	5.480	1.840
Rmerge	0.099	0.036	0.669
Rmeas		0.043	0.788
Number of reflections	77140	3130	11929
<I/σ(I)>	9.16	24.31	2.01
Completeness [%]	98.8	98.4	95.8
Redundancy	3.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	50mM ammonium sulfate, 50mM sodium acetate buffer, 17% PEG monomethylether 2000, 33.3mM acarviosyl-maltotriose, pH 4.5, vapor diffusion, hanging drop, temperature 298K