1NOW

Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9
Spacegroup name	P 61 2 2
Unit cell lengths	112.391, 112.391, 397.309
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.710 - 2.200
R-factor	0.19438
Rwork	0.193
R-free	0.21763
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.568
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.000
High resolution limit [Å]	2.200
Number of reflections	74245

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	5 mg/ml HexB [final], 50% saturated ammonium sulfate, and 50 mM potassium phosphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K