1C82

MECHANISM OF HYALURONAN BINDING AND DEGRADATION: STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE IN COMPLEX WITH HYALURONIC ACID DISACCHARIDE AT 1.7 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	OXFORD
Spacegroup name	P 21 21 21
Unit cell lengths	83.550, 104.190, 99.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.700
Rwork	0.215
R-free	0.25700
RMSD bond length	0.009
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.85)
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.055	0.336
Total number of observations	495691 *
Number of reflections	95261
<I/σ(I)>	23.4
Completeness [%]	98.5	98
Redundancy	5.2	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	293	AMMONIUM SULFATE, SODIUM CACODYLATE, pH 6.0, EVAPORATION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HA disaccharide	50 (mM)
2	1	reservoir	ammonium sulfate	3.2 (M)
3	1	reservoir	sodium cacodylate	100 (mM)