6CA3

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)	0.9191
Spacegroup name	P 1
Unit cell lengths	64.685, 70.826, 88.103
Unit cell angles	111.32, 107.42, 97.66

Refinement procedure

Resolution	31.742 - 1.743
R-factor	0.1552
Rwork	0.153
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nuk
RMSD bond length	0.006
RMSD bond angle	1.042
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	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.053	0.594
Rmeas	0.074	0.840
Rpim	0.053	0.594
Number of reflections	131158	6511
<I/σ(I)>	21.8	1.5
Completeness [%]	96.2	95.4
Redundancy	2	1.9
CC(1/2)		0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1 M Bis-Tris, 25% (w/v) PEG 3350