1CB8

CHONDROITINASE AC LYASE FROM FLAVOBACTERIUM HEPARINUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1996-10
Detector	ADSC
Spacegroup name	P 43 21 2
Unit cell lengths	87.200, 87.200, 193.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.196 *
Rwork	0.195
R-free	0.26000
Structure solution method	MIRAS
RMSD bond length	0.008
RMSD bond angle	24.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.175 *
Number of reflections	60889
<I/σ(I)>	12	5.5
Completeness [%]	91.3	78.8 *
Redundancy	3.1	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5		CRYSTALLIZATION CONDITIONS: PEG-MME 2K 17% AMMONIUM ACETATE 80MM PH 6.5 0.4M SODIUM ACETATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	mPEG2000	15-17 (%(w/v))
2	1	reservoir	ammonium acetate	80 (mM)
3	1	reservoir	sodium acetate	400 (mM)