3WEN

Sugar beet alpha-glucosidase with acarviosyl-maltopentaose

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	97.352, 138.872, 148.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.206 - 2.590
R-factor	0.2016
Rwork	0.199
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w37
RMSD bond length	0.003
RMSD bond angle	0.799
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]	44.206		2.750
High resolution limit [Å]	2.590	7.660	2.590
Rmerge	0.103	0.032	0.639
Rmeas		0.036	0.710
Number of reflections	31018	1235	4862
<I/σ(I)>	15.04	40.15	3.22
Completeness [%]	97.4	92.2	95.5
Redundancy	5.61

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, 7.79mM acarviosyl-maltopentaose, pH 4.5, vapor diffusion, hanging drop, temperature 298K