1KTB

The Structure of alpha-N-Acetylgalactosaminidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.054
Spacegroup name	P 43 21 2
Unit cell lengths	72.593, 72.593, 176.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.640 - 1.900
R-factor	0.211
Rwork	0.211
R-free	0.22200
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.568
Total number of observations	505767 *
Number of reflections	37980	1858 *
<I/σ(I)>	13.5	6.3
Completeness [%]	99.7	100
Redundancy	13.3	17.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.6	293	lithium sulfate, ammonium sulfate, sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.6 (M)
2	1	reservoir	lithium sulfate	0.9 (M)
3	1	reservoir	sodium acetate	0.1 (M)	pH5.6