1XSK

Structure of a Family 31 alpha glycosidase glycosyl-enzyme intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	162.142, 175.465, 210.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 2.200
R-factor	0.235
Rwork	0.235
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xsi
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.096	0.406
Number of reflections	296995
<I/σ(I)>	9.4	2.4
Completeness [%]	97.9	94.6
Redundancy	3.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	100 mM sodium acetate, 2M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K