1LOH

Streptococcus pneumoniae Hyaluronate Lyase in Complex with Hexasaccharide Hyaluronan Substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	298
Detector technology	CCD
Collection date	2001-03-20
Detector	OXFORD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.700, 103.570, 101.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.000
R-factor	0.224
Rwork	0.224
R-free	0.24300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.305 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.167 *	0.910 *
Total number of observations	407437 *
Number of reflections	60259
Completeness [%]	99.9	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	22 *	AMMONIUM SULFATE, SODIUM CACODYLATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	5 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.4
3	1	drop	EDTA	2 (mM)
4	1	drop	DL-dithiothreitol	1 (mM)
5	1	reservoir	sodium cacodylate	100 (mM)	pH6.0
6	1	reservoir	ammonium sulfate	2.9 (M)
7	1	reservoir	EDTA	5 (mM)