6C9X

THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	64.418, 124.308, 87.741
Unit cell angles	90.00, 108.50, 90.00

Refinement procedure

Resolution	29.886 - 1.457
R-factor	0.1428
Rwork	0.142
R-free	0.16230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n04
RMSD bond length	0.006
RMSD bond angle	1.151
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.490
High resolution limit [Å]	1.457	1.460
Rmerge	0.075	0.625
Rmeas	0.086	0.718
Rpim	0.041	0.348
Number of reflections	226940	11315
<I/σ(I)>	20.8	1.9
Completeness [%]	100.0	100
Redundancy	4.2	4.1
CC(1/2)		0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1M Bis-Tris, 25% (w/v) PEG3350