8JIY

A carbohydrate binding domain of a putative 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	2023-04-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	56.313, 56.634, 69.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.560 - 1.550
R-factor	0.1928
Rwork	0.191
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.767
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]	43.890	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.056	0.238
Rmeas	0.062	0.271
Rpim	0.026	0.127
Total number of observations	169904	6887
Number of reflections	32725	1596
<I/σ(I)>	17	4.4
Completeness [%]	99.4
Redundancy	5.2	4.3
CC(1/2)	0.998	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20% PEG 3350, 0.2 M Ammonium sulfate