6CA1

THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol

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)	0.9792
Spacegroup name	P 1
Unit cell lengths	64.749, 70.058, 88.162
Unit cell angles	111.32, 107.59, 97.67

Refinement procedure

Resolution	31.545 - 1.950
R-factor	0.1541
Rwork	0.152
R-free	0.20140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n04
RMSD bond length	0.006
RMSD bond angle	1.051
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]	32.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.075	0.424
Rmeas	0.106	0.599
Rpim	0.075	0.424
Number of reflections	93150	4384
<I/σ(I)>	11.7	1.7
Completeness [%]	96.6	91.5
Redundancy	1.9	1.8
CC(1/2)		0.622

Crystallization Conditions

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