1OFM

CRYSTAL STRUCTURE OF CHONDROITINASE B COMPLEXED TO CHONDROITIN 4-SULFATE TETRASACCHARIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	50.537, 74.069, 58.989
Unit cell angles	90.00, 93.76, 90.00

Refinement procedure

Resolution	33.180 - 1.800
R-factor	0.142
Rwork	0.142
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dbg
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.180	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.040	0.085
Number of reflections	40172
<I/σ(I)>	19.5	9.2
Completeness [%]	99.9	100
Redundancy	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.7		PEG8000, 2-METHYL-2,4- PENTADIOL, AMMONIUM ACETATE, TRIS, pH 8.70