1TR9

Structure of beta-hexosaminidase from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-21
Detector	MARRESEARCH
Wavelength(s)	.9790
Spacegroup name	P 21 21 21
Unit cell lengths	48.980, 79.378, 86.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.17182
Rwork	0.170
R-free	0.20314
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.239
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.150	0.283
Number of reflections	31858
<I/σ(I)>	11.07	8
Completeness [%]	100.0	100
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	20% PEG 5000, 0.1M BisTris pH 6.5, 0.1M AmSulfate, 5% Glycerol; Cryo 30% Glycerol, 20% PEG 5000, 0.1M BisTris pH 6.5, 0.1M AmSulfate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K