9JEN

Chito oligosaccharide deacetylase from vibrio campbellii (VhCOD) complex Tetraacetyl-Chitotetraose Oligosaccharide (GlcNAc)4

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	2021-04-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97622
Spacegroup name	P 1 21 1
Unit cell lengths	60.343, 102.927, 77.285
Unit cell angles	90.00, 110.04, 90.00

Refinement procedure

Resolution	29.060 - 1.650
R-factor	0.1708
Rwork	0.169
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.793
Data reduction software	iMOSFLM
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.650	4.480	1.780
Rmerge	0.049	0.030	0.854
Rmeas	0.063	0.035	0.519
Rpim	0.033	0.018	0.271
Number of reflections	103025	5324	5037
<I/σ(I)>	12.9
Completeness [%]	97.2	98.3	96.2
Redundancy	3.5	3.7	3.4
CC(1/2)	0.831	0.997	0.833

Crystallization Conditions

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