8YH4

Chito oligosaccharide deacetylase from vibrio campbellii (VhCOD) in complex with chitosanbiose (GlcN)2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	277
Detector technology	PIXEL
Collection date	2020-04-20
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.90003
Spacegroup name	P 21 21 21
Unit cell lengths	60.894, 118.458, 252.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.887 - 2.128
R-factor	0.1523
Rwork	0.151
R-free	0.18240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.553
Data reduction software	HKL-2000
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	2.170
High resolution limit [Å]	2.128	5.780	2.130
Rmerge		0.017	0.210
Rmeas	0.231	0.019	0.229
Rpim	0.091	0.007	0.090
Number of reflections	5768039	5476	5090
<I/σ(I)>	16
Completeness [%]	99.6	98.2	99.3
Redundancy	7.2	6.8	6.3
CC(1/2)	0.972	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.2M sodium fluoride, 0.1M Bis-Tris propane pH 8.5, 20% PEG 3350