9JT8

Chito oligosaccharide deacetylase from vibrio campbellii (VhCOD) in complex with Triacetyl-Chitotriose (GlcNAc)3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-12-10
Detector	RAYONIX MX-300
Wavelength(s)	0.99764
Spacegroup name	P 31 1 2
Unit cell lengths	107.881, 107.881, 260.731
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.240 - 2.850
R-factor	0.1847
Rwork	0.182
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHENIX ((1.21.2_5419: 5419))
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.850	7.730	2.850
Rmerge	0.396	0.151	1.303
Rmeas	0.408	0.156	1.418
Rpim	0.098	0.038	0.549
Total number of observations	655084
Number of reflections	40877	2145	2007
<I/σ(I)>	2.7
Completeness [%]	99.9	99.1	100
Redundancy	16	17.2	6.4
CC(1/2)	0.978	0.994	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2M Sodium iodide, 0.1M Bis-Tris propane pH 8.5, 20% w/v PEG 3350