2GJX

Crystallographic structure of human beta-Hexosaminidase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1158
Spacegroup name	C 1 2 1
Unit cell lengths	321.091, 110.536, 129.668
Unit cell angles	90.00, 90.90, 90.00

Refinement procedure

Resolution	39.870 - 2.800
R-factor	0.26965
Rwork	0.269
R-free	0.28822
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.795
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.089	0.750
Number of reflections	111512
<I/σ(I)>	9.4
Completeness [%]	99.7	2.08
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	13% pEG 8000, 0.1M NaAcetate, 0.2M thiocyanate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K