8WAB

Crystal structure of a chondroitin sulfate-binding carbohydrate binding module of a chondroitinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	40.401, 45.717, 56.421
Unit cell angles	102.28, 96.00, 113.21

Refinement procedure

Resolution	27.550 - 2.200
R-factor	0.1739
Rwork	0.168
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.828
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.360	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.085	0.216
Rmeas	0.120	0.306
Rpim	0.085	0.216
Total number of observations	31219	2779
Number of reflections	17339	1533
<I/σ(I)>	5.3	2.7
Completeness [%]	96.2
Redundancy	1.8	1.8
CC(1/2)	0.960	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	27% PEG 4000, 0.1M Sodium cacodylate