1I8Q

CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LYASE COMPLEXED WITH ENZYME PRODUCT, UNSATURATED DISACCHARIDE HYALURONAN

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
Collection date	2000-09-25
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	51.030, 155.017, 237.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.182 *
Rwork	0.182
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure of streptococcus agalactiae hyaluronate lyase
RMSD bond length	0.007 *
RMSD bond angle	1.152 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.123	0.216 *
Total number of observations	295197 *
Number of reflections	45510 *
<I/σ(I)>	10.5
Completeness [%]	98.1	91.5 *
Redundancy	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	298	Jedrzejas, M.J., (2000) Acta Crystallogr., Sect.D, 56, 460. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	cacodylate	100 (mM)	pH6.0
2	1	reservoir	KSCN	30 (mM)
3	1	reservoir	PEG5000 MME	19 (%)
4	1	drop	protein	10 (mg/ml)
5	1	drop	HEPES	10 (mM)
6	1	drop	EDTA	2 (mM)	pH8.0