3WEM

Sugar beet alpha-glucosidase with acarviosyl-maltotetraose

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	2012-01-30
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	97.443, 139.377, 149.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.363 - 2.591
R-factor	0.2055
Rwork	0.204
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w37
RMSD bond length	0.005
RMSD bond angle	1.182
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.363		2.750
High resolution limit [Å]	2.590	7.670	2.590
Rmerge	0.107	0.024	0.664
Rmeas		0.026	0.731
Number of reflections	31809	1321	4956
<I/σ(I)>	16.87	48.68	3.14
Completeness [%]	99.4	98.1	97.3
Redundancy	5.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	50mM ammonium sulfate, 50mM sodium acetate buffer, 16% PEG monomethylether 2000, 15.8mM acarviosyl-maltotetraose, pH 4.5, vapor diffusion, hanging drop, temperature 298K