7YKE

Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	49.069, 94.497, 229.356
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.070 - 1.880
R-factor	0.1714
Rwork	0.169
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eis
RMSD bond length	0.014
RMSD bond angle	1.928
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.096	0.886
Number of reflections	87996	4419
<I/σ(I)>	14.4
Completeness [%]	100.0	100
Redundancy	6.6	6.7
CC(1/2)	0.998	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	magnesium acetate, ammonium acetate, polyethylene glycol 3350, HEPES-Na