5F7C

Crystal structure of Family 31 alpha-glucosidase (BT_0339) 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	82.340, 75.000, 232.860
Unit cell angles	90.00, 95.14, 90.00

Refinement procedure

Resolution	48.810 - 2.600
R-factor	0.3036
Rwork	0.302
R-free	0.34910
RMSD bond length	0.007
RMSD bond angle	1.049
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]	48.810	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	87516
<I/σ(I)>	6.67
Completeness [%]	100.0	99.87
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), 0.1 M Sodium formate pH 7.0, 12% w/v Polyethylene glycol 3350