9JT0

Chito oligosaccharide deacetylase from vibrio campbellii (VhCOD) complex with Chitobiose

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	2022-04-20
Detector	RAYONIX MX-300
Wavelength(s)	0.9997
Spacegroup name	P 31 1 2
Unit cell lengths	107.852, 107.852, 260.618
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.310 - 2.400
R-factor	0.1814
Rwork	0.180
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.855
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHENIX ((1.18.2_3874: 5419))
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	5.800	2.670
High resolution limit [Å]	2.250	4.840	2.600
Rmerge	0.151	0.083	1.000
Rmeas		0.085	0.560
Rpim		0.018	0.117
Number of reflections	82477	4179	4106
<I/σ(I)>	4.2
Completeness [%]	100.0	100	100
Redundancy	6.4	5.9	6.4
CC(1/2)	0.814	0.998	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	292.15	0.2M Sodium fluoride, 0.1M Bis-tris propane pH 6.5, 20% W/V PEG 3350