9JEO

Chito oligosaccharide deacetylase from vibrio campbellii (VhCOD) in complex with N-acetyl-beta-D-glucosaminyl-1,4-D-glucosaminium(GlcNAcGlcN)

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	2021-06-18
Detector	RAYONIX MX-300
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	61.128, 118.714, 254.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 1.870
R-factor	0.1555
Rwork	0.154
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.903
Data reduction software	iMOSFLM
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: 000))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmerge	0.122	0.064	0.492
Rmeas		0.067	0.517
Rpim	0.047	0.018	0.156
Number of reflections	153525	8257	6634
<I/σ(I)>	6.1
Completeness [%]	99.0	99.8	86.7
Redundancy	13.7	14	10.4
CC(1/2)	0.877	0.998	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	0.2M Sodium formate, 0.1M Bis-Tris propane pH 8.5, 20% W/V PEG 3350