5DJW

Crystal structure of Family 31 alpha-glucosidase (BT_3299) from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-17
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	89.260, 74.860, 94.430
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	47.550 - 2.700
R-factor	0.3329
Rwork	0.330
R-free	0.38970
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.719
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.550	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	34303
<I/σ(I)>	4.79
Completeness [%]	99.9	100
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.05 M Ammonium Sulfate, 0.05 M Bis-Tris:HCl pH 6.5 30% (v/v), Pentaerythritol Ethoxylate (15/4 EO/OH)